Chemistry is central to the well being of the people and society. Chemistry has established itself as an integral part of natural Science and current applications of chemical science are impossible to ignore in virtually all industries. These include Petroleum, Healthcare & medicine, food and agriculture, polymer & synthetic materials, nanotechnology and others. In fact, the list is virtually endless. With a growing demand for dedicated expertise in different areas of Chemistry in industry and technology, it is understandable that industries are looking for scientists who can apply the science in developing their technology and scientists are showing inclination to hone their research to cater the technological demand of the industries.

A four year Bachelor of Technology (B.Tech) programme in Chemical Science and Technology is being proposed by the Department of Chemistry at IIT Patna from the year 2013. This program, as the name suggest, would promote Science as well as Technology involving Chemistry and other Chemistry related interdisciplinary areas. This program has been envisioned with a view to prepare human resource to be competent in both Academia and Industry. The scope of this program will extend by not limited to provide students with basic concepts of chemical science and in parallel offer adequate practical training in chemical science related engineering. This practice should enable the students to apply their theoretical concepts into a technological output whereby they can prove to be useful in industry for technology development.

The chemical science interface will develop the basic concepts of Organic, Inorganic, Physical and Biochemistry. From organic synthesis, Supramolecular chemistry to Thermodynamics and other aspects of chemistry, this part of the program will play a key role in developing the basic knowledge in chemistry along with the most updated findings in these areas. Thus, a solid academic platform for the students is foreseen with the science component of the program. Technological aspect of the program will include applied catalysis, drug design, medicinal chemistry, nanomaterials and nanoscience, fine and bulk chemicals, green chemical and technological practices.

The Department of Chemistry at IIT Patna continues to thrive to be a nationally-acclaimed model for educating and graduating students in Chemistry and related areas. We want our students to be prepared to compete in and contribute to the ever-changing, technology-centered world of the 21st century. To achieve this vision, the department is committed to providing a course of study for undergraduates in the chemical sciences and Technology which combines curriculum, high-quality teaching, innovative and intellectually challenging practical courses and employ state-of-the-art technologies.

The department of Chemistry is emerging as a strong contender in terms of achievement in chemical science and technology research with the support of a dynamic team consisting of teaching staff, non-teaching staff, project fellows and inspired research students. The continuously growing community in the department is sure to foster multi-disciplinary curriculum development to provide students with a breadth of course options in virtually all aspects of chemical science and related technology development. The students will be trained to do frontline research in interdisciplinary areas, which include materials science, environmental science and molecular biology.

Graduates from this program will have diverse job opportunities in the chemical industry, in petroleum industry including polymer and paint industry, pharmaceutical and healthcare industry, food industry, Biotechnology based industries, in environment related industries and businesses, and in Research & Development. Equally promising career in academics to pursue a research career in India and abroad seems appropriate also.

New technologies and the comfortable lifestyle enjoyed by us are provided through the applications of chemistry. Those who are deprived of the above, well being of them can be achieved through Chemical Science itself, be it a life saving drug or affordable synthetic materials for multipurpose applications. Sustainable improvement will only be achieved through public appreciation of the importance and positive aspects of chemical science and its related applications in technology in everyday life. The betterment of society covers three pillars:

1.Environment

2.Health and Safety

3.Economy and Energy.

We believe, the Chemical Science and Technology program at IIT Patna will contribute significantly to all the three issues and prepare graduates who can contribute to strengthen these pillars in our country.

CURRICULUM

1st Year First Semester

Second Semester

2nd Year Third Semester

3rd Year Fifth Semester Sixth Semester 4th Year Seventh Semester

Eighth Semester

CH 103 Introductory Chemistry

PHYSICAL CHMEISTRY

Thermodynamics: The fundamental definition and concept, the zeroth and first law. Work, heat, energy and enthalpies. Second law: entropy, free energy and chemical potential. Change of Phase. Third law. Chemical equilibrium, Chemical kinetics: The rate of reaction, elementary reaction and chain reaction.

Electrochemistry: Conductance of solutions, equivalent and molar conductivities and its variation with concentration. Kohlrausch’s law-ionic mobilities, Transference number of ions. activities, application of Debye-Huckel theory. The Walden’s rule. Debye-Huckel-Onsager treatment. Electrochemical cells, Nernst equation. Application of EMF measurements. Liquid junction potential, commercial cells – the primary and secondary cells. Fuel cells.

INORGANIC CHEMISTRY

Coordination chemistry: ligand, nomenclature, isomerism, stereochemistry, valence bond, crystal field and molecular orbital theories. Bioinorganic chemistry: Trace elements in biology, heme and non-heme oxygen carriers, haemoglobin and myoglobin; organometallic chemistry.

ORGANIC CHEMISTRY

Stereo and regio-chemistry of organic compounds, conformers. Bioorganic chemistry: amino acids, peptides, proteins, enzymes, carbohydrates, nucleic acids and lipids. Modern techniques in structural elucidation of compounds (UV – Vis, IR, NMR). Solid phase synthesis and combinatorial chemistry. Green chemical processes.

Books:

1.P. W. Atkins, Physical Chemistry, ELBS, 5th Ed, 1994.

2.J. O'M. Bockris and A. K. N. Reddy, Modern Electrochemistry, Volume 1 and 2, Kluwer Academic, 2000.

3.K. L. Kapoor, A Textbook of Physical Chemistry, Macmillan India, 2nd Ed, 1986.

4.F. A. Cotton and G. Wilkinson, Advanced Inorganic Chemistry, Wiley Eastern Ltd, New Delhi, 3rd Ed, 1972 (reprint in 1998).

5.D. J. Shriver, P. W. Atkins and C. H. Langford, Inorganic Chemistry, ELBS, 2nd Ed, 1994.

6.S. H. Pine, Organic Chemistry, McGraw Hill, 5th Ed, 1987.

References:

1.I. A. Levine, Physical Chemistry, McGraw Hill, 4th Ed, 1995.

2.J. E. Huheey, E. A. Keiter and R. L. Keiter, Inorganic Chemistry: Principle, structure and reactivity, Harper Collins, 4th Ed, 1993.

3.L. G. Wade Jr., Organic Chemistry, Prentice Hall, 1987

CH 110 Chemistry Lab

Estimation of metal ion: Determination of total hardness of water by EDTA titration. Experiments based on chromatography: Identification of a mixture containing two organic compounds by TLC. Experiments based on pH metry.: Determination of dissociation constant of weak acids by pH meter. Experiments based on conductivity measurement: Determination of amount of HCl by conductometric titration with NaOH. Synthesis and characterization of inorganic complexes: e.g. Mn(acac)3, Fe(acac)3, cis-bis(glycinato)copper(II) monohydrate and their characterization by m. p. IR etc. Synthesis and characterization of organic compounds: e.g. Dibenzylideneacetone. Kinetics: Acid catalyzed hydrolysis of methylacetate. Verification of Beer-Lamberts law and determination of amount of iron present in a supplied solution. Experiments based on electrogravimetry and electroplating. Experiments based on magnetometry.

EE 101 Electrical Sciences

Circuit Analysis Techniques, Circuit elements, Simple RL and RC Circuits, Kirchoff’s law, Nodal Analysis, Mesh Analysis, Linearity and Superposition, Source Transformations, Thevnin’s and Norton’s Theorems, Time Domain Response of RC, RL and RLC circuits, Sinusoidal Forcing Function, Phasor Relationship for R, L and C, Impedance and Admittance.
Semiconductor Diode, Zener Diode, Rectifier Circuits, Clipper, Clamper, Bipolar Junction Transistors, Transistor Biasing, Transistor Small Signal Analysis, Transistor Amplifier, Operational Amplifiers, Op-amp Equivalent Circuit, Practical Op-amp Circuits, DC Offset, Constant Gain Multiplier, Voltage Summing, Voltage Buffer, Controlled Sources, Instrumentation Circuits, Active Filters and Oscillators. Number Systems, Logic Gates, Boolean Theorem, Algebraic Simplification, K-map, Combinatorial Circuits, Encoder, Decoder, Combinatorial Circuit Design, Introduction to Sequential Circuits. Magnetic Circuits, Mutually Coupled Circuits, Transformers, Equivalent Circuit and Performance, Analysis of Three-Phase Circuits, Electromechanical Energy Conversion, Introduction to Rotating Machines.

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MA 101 Mathematics – I

Properties of real numbers. Sequences of real numbers, montone sequences, Cauchy sequences, divergent sequences. Series of real numbers, Cauchy’s criterion, tests for convergence. Limits of functions, continuous functions, uniform continuity, montone and inverse functions. Differentiable functions, Rolle’s theorem, mean value theorems and Taylor's theorem, power series. Riemann integration, fundamental theorem of integral calculus, improper integrals. Application to length, area, volume, surface area of revolution. Vector functions of one variable and their derivatives. Functions of several variables, partial derivatives, chain rule, gradient and directional derivative.

Tangent planes and normals. Maxima, minima, saddle points, Lagrange multipliers, exact differentials. Repeated and multiple integrals with application to volume, surface area, moments of inertia. Change of variables. Vector fields, line and surface integrals. Green’s, Gauss’ and Stokes’ theorems and their applications.

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ME 111 Engineering Drawing

Geometrical construction of simple plane figure: Bisecting the line, draw perpendicular, parallel line, bisect angle, trisect angle, construct equatorial triangle, square, polygon, inscribed circle.

Free hand sketching: prerequisites for freehand sketching, sketching of regular and irregular figures.

Drawing scales: Engineering scale, graphical scale, plane scale, diagonal scale, comparative scale, scale of chord.

Orthographic projection:Principle of projection, method of projection, orthographic projection, plane of projection, first angle of projection, third angle of projection, reference line.

Projection of points, lines and plane: A point is situated in the first quadrant, point is situated in the second quadrant, point is situated in the third quadrant, point is situated in the fourth quadrant, projection of line parallel to both the plane, line contained by one or both the plane, line perpendicular to one of the plane, line inclined to one plane and parallel to other, line inclined to both the plane, true length of line.

Missing views: Drawing of missing front view of a solid, missing top view of solids, missing side view of solids, Orthographic projection of simple solid: Introduction, types of solid, projection of solid when axis perpendicular to HP, axis perpendicular to VP, axis parallel to both HP and VP, axis inclined to both HP and VP.

Orthographic projection of simple solid: Introduction, types of solid, projection of solid when axis perpendicular to HP, axis perpendicular to VP, axis parallel to both HP and VP, axis inclined to both HP and VP.

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PH 101 Physics – I

Classical Mechanics: Position, velocity and acceleration vectors in plane polar coordinate. Newton’s laws of motion. Fundamental forces. Contact forces. System of Particles. Conservation of momentum. Work-energy theorem. Line integral of a vector field. Conservative forces. Gradient of a scalar field. Potential energy and equilibrium. Conservation of energy. Angular momentum. Rotation about fixed axis. Torque. Motion involving translation and rotation. Vector nature of angular velocity and angular momentum. The Gyroscope. Pseudo forces. Rotating frame. Centrifugal and Coriolis forces. Foucault pendulum. Special Theory of Relativity: Result of Michelson-Morley Experiment. Postulates of STR. Galilean transformation. Lorentz transformation. Simultaneity. Length contraction. Time dilation. Relativistic addition of velocities. Quantum Mechanics: Failure of classical concepts. De Broglie’s hypothesis. Davison and Germer’s experiment. Uncertainity Principle, Wave packets. Phase and Group velocities. Schrodinger equation. Probabilities and Normalization. Expectation values. Eigenvalues and eigenfunctions. Applicationa in one dimension: Particle in a box, Finite Potential well, Steps and Barriers, Harmonic oscillator.

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ME 110 Workshop

Carpentry: Introduction to wood working, Marking and Measuring Tools-rule, try square, marking gauge, mortise gauge etc., Cutting Tools-rip saw, tenon saw, firmer chisel, mortise chisel, iron jack plane, wooden jack plane etc., Drilling Tools-braces, drill bits etc., Striking Tools-hammers, mallet etc., Holding Tools-bench vice, G-cramp etc., Miscellaneous Tools- rasps, files, screw driver, pincer etc.; Operations-marking, sawing, planning, chiseling, boring, grooving etc., Joints- Corner joints, Tenon and Mortise joint, Briddle cross-joint.

Fitting: Introduction to fitting, Tools-bench vice, hammers, chisels, files-flat file, square file, half round file, round file, knife edge file, scrapers, hacksaws, try squares, drill machine, drill bits, taps, dies etc, Operations-chipping, filing, scrapping, sawing, marking, drilling, tapping, dieing etc.

Sheet Metal Working: Introduction to sheet metal work; GI sheets, aluminium, tin plate, copper, brass etc, Toolssteel rule, vernier calipers, micrometer, sheet metal gauge etc., scriber, divider, punches, chisels, hammers, snips, pliers, stakes, rivets etc., Operations-shearing, bending, drawing, squeezing etc.

Pattern making and Foundry: Introduction to pattern making, moulding and foundry practice. Pattern material-wood, cast iron, brass, aluminium, waxes etc., different types of patterns, core-boxes, core prints, hand tools-shovel, riddle, rammer, trowel, slick, lifter, sprue pin, bellow, mallet,vent rod, pouring weights etc., moulding sands-green sand, dry sand, loam sand, facing sand etc., grain shape and size, properties of moulding sand, sand preparation and testing etc., casting- permanent mould casting, centrifugal casting etc.

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HS 101 English: Learning Through Literature

Essays:

Short Stories:

One-Act Play :

Poems:

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CH 102 Chemistry – II

Module 1: Polymer Chemistry Unit 1: Polymer Chemistry in Everyday Life

Module 2: Introduction to Chemical Biology Unit 1: Biochemical evolution and cell

Unit 2: Methods in Chemical Biology

Unit 3: Recombinant DNA Technology

Module 3: Chemistry of Environment Unit 1: Environment and Ecosystem: Basics

Unit 2: Technology for Air and Water Pollution Control

Unit 3: Alternative Energy Sources

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CS 101 Introduction to Computing

Digital computer fundamentals: flowcharts, the von Neumann architecture, programs, assembly language, high level programming languages, text editors, operating systems. Imperative programming (Using C): data types, variables, operators, expressions, statements, control structures, functions, arrays and pointers, recursion, records (structures), files, input/output, some standard library functions and some elementary data structures. Program development: programming tools, testing and debugging.

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CS 110 Computing Laboratory

Laboratory experiments will be set in consonance with the material covered in CS 101. This will include assignments in a programming language like C.

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EE 102 Basic Electronics Laboratory

Experiments using diodes and bipolar junction transistor (BJT): design and analysis of half -wave and full-wave rectifiers, clipping circuits and Zener regulators, BJT characteristics and BJT amplifiers; experiments using operational amplifiers (op-amps): summing amplifier, comparator, precision rectifier, astable and monostable multivibrators and oscillators; experiments using logic gates: combinational circuits such as staircase switch, majority detector, equality detector, multiplexer and demultiplexer; experiments using flip-flops: sequential circuits such as non-overlapping pulse generator, ripple counter, synchronous counter, pulse counter and numerical display.

References:

MA 102 Mathematics – II

Linear Algebra: Vector spaces (over the field of real and complex numbers). Systems of linear equations and their solutions. Matrices, determinants, rank and inverse. Linear transformations. Range space and rank, null space and nullity. Eigenvalues and eigenvectors. Similarity transformations. Diagonalization of Hermitian matrices. Bilinear and quadratic forms.

Ordinary Differential Equations: First order ordinary differential equations, exactness and integrating factors. Variation of parameters. Picard's iteration. Ordinary linear differential equations of n-th order, solutions of homogeneous and non-homogeneous equations. Operator method. Method of undetermined coefficients and variation of parameters.

Power series methods for solutions of ordinary differential equations. Legendre equation and Legendre polynomials, Bessel equation and Bessel functions of first and second kind.

Systems of ordinary differential equations, phase plane, critical point, stability.

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ME 101 Engineering Mechanics

Rigid body static: Equivalent force system. Equations of equilibrium, Free body diagram, Reaction, Static indeterminacy and partial constraints, Two and three force systems. Structures: 2D truss, Method of joints, Method of section. Frame, Beam, types of loading and supports, Shear Force and Bending Moment diagram, relation among load-shear force-bending moment.

Friction: Dry friction (static and kinematics), wedge friction, disk friction (thrust bearing), belt friction, square threaded screw, journal bearings (Axle friction), Wheel friction, Rolling resistance.

Center of Gravity and Moment of Inertia: First and second moment of area and mass, radius of gyration, parallel axis theorem, product of inertia, rotation of axes and principal M. I., Thin plates, M.I. by direct method (integration), composite bodies. Virtual work and Energy method: Virtual Displacement, principle of virtual work, mechanical efficiency, work of a force/couple (springs etc.), Potential Energy and equilibrium, stability.

Kinematics of Particles: Rectilinear motion, curvilinear motion rectangular, normal tangential, polar, cylindrical, spherical (coordinates), relative and constrained motion, space curvilinear motion.

Bodies: Translation, fixed axis rotation, general planner motion, work, energy, power, potential energy, impulse-momentum and associated conservation principles, Euler equations of motion and its application.

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PH 110 Physics Laboratory

PH 102 Physics – II

Vector Calculus: Gradient, Divergence and Curl. Line, Surface and Volume integrals. Gauss’s divergence theorem and Stokes’ theorem in Cartesian, Spherical polar and cylindrical polar coordinates. Dirac Delta function.

Electrodynamics: Coulomb’s law and Electrostatic field, Fields of continuous charge distributions. Gauss’s law and its applications. Electrostatic Potential. Work and Energy. Conductors, capacitors. Laplace’s equation. Method of images. Dielectrics. Polarization. Bound charges. Energy in dielectrics. Boundary conditions. Lorentz force. Biot-Savart and Ampere’s laws and their applications. Vector Potential. Force and torque on a magnetic dipole. Magnetic materials. Magnetization, Bound currents. Boundary conditions. Motional EMF, Ohm’s law. Faraday’s law. Lenz’s law. Self and Mutual inductance. Energy stored in magnetic field. Maxwell’s equations.

Optics: huygens’ principle. Young’s experiment. Superposition of waves. Concepts of coherence sources. Interference by division of wavefront. Fresnel’s biprism, Phase change on reflection. Lioyd’s mirror. Interference by division of amplitude. Parallel film. Film of varying thickness. Colours of thin films. Newton’s rings. The Michelson interferometer. Fraunhofer diffraction. Single slit, double slit and N-slit patterns. The diffraction grating.

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MA 201 Mathematics – III

Complex Analysis: Complex numbers, geometric representation, powers and roots of complex numbers. Functions of a complex variable: Limit, Continuity, Differentiability, Analytic functions, Cauchy-Riemann equations, Laplace equation, Harmonic functions, Harmonic conjugates. Elementary Analytic functions (polynomials, exponential function, trigonometric functions), Complex logarithm function, Branches and Branch cuts of multiple valued functions. Complex integration, Cauchy's integral theorem, Cauchy's integral formula. Liouville’s Theorem and Maximum-Modulus theorem, Power series and convergence, Taylor series and Laurent series. Zeros, Singularities and its classifications, Residues, Rouches theorem (without proof), Argument principle (without proof), Residue theorem and its applications to evaluating real integrals and improper integrals. Conformal mappings, Mobius transformation, Schwarz-Christoffel transformation.

Fourier series: Fourier Integral, Fourier series of 2p periodic functions, Fourier series of odd and even functions, Half-range series, Convergence of Fourier series, Gibb’s phenomenon, Differentiation and Integration of Fourier series, Complex form of Fourier series.

Fourier Transformation: Fourier Integral Theorem, Fourier Transforms, Properties of Fourier Transform, Convolution and its physical interpretation, Statement of Fubini’s theorem, Convolution theorems, Inversion theorem.

Partial Differential Equations: Introduction to PDEs, basic concepts, Linear and quasi-linear first order PDE, Second order PDE and classification of second order semi-linear PDE, Canonical form.. Cauchy problems. D’Alemberts formula and Duhamel’s principle for one dimensional wave equation, Laplace and Poisson equations, Maximum principle with application, Fourier method for IBV problem for wave and heat equation, rectangular region. Fourier method for Laplace equation in three dimensions.

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CB201 Chemical Process Calculations

Steady-state and dynamic processes; lumped and distributed processes; single and multi-phase systems; correlations for physical and transport properties; equilibrium relations; ideal gases and gaseous mixtures; vapor pressure; Vapor liquid equilibrium; Material balances: non-reacting single-phase systems; systems with recycle, bypass and purge; processes involving vaporization and condensation. Intensive and extensive variables; rate laws; calculation of enthalpy change; heat of reaction; fuel calculations; saturation humidity, humidity charts and their use; energy balance calculations; flow-sheeting; degrees of freedom and its importance in flow-sheeting.

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CH203 Organic Chemistry

Introduction to types of organic reactions; Structure and stability of reactive intermediates: carbocations, carbanions, free radicals, carbenes, arynes and nitrenes; Methods of determining organic reaction mechanism: thermodynamic and kinetic requirements, transition state theory, Hammond postulate, Curtin-Hammett principle, kinetic vs. thermodynamic control reaction, isotope effects, substituent effects, Hammett linear free energy relationship, Taft equation; Addition reaction to C=C and C=O; Preliminary idea of radical reactions; Application of Oxidation and Reduction reactions and reagents, Name reactions (e.g. Sharpless epoxidation, Suzuki coupling, Heck coupling etc.). Mechanism of aromatic nucleophilic and electrophilic substitions; Introduction to synthesis of nucleic acids and peptide chemistry.

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CH205 Introduction to Quantum Chemistry

The motivation for Quantum mechanics: Postulates and general principles of quantum mechanics; Operators and their properties; Schrödinger equation, its application on some model systems : free-particle and particle in a box (1D and 3D), tunneling, the harmonic oscillator, the rigid rotor, and the hydrogen atom; Approximate methods; The variation theorem; Linear variation principle; Perturbation theory; Applications of variational methods and perturbation theory to the helium atom; Angular momentum: eigenfunctions and eigenvalues of angular momentum operator, Ladder operator, addition of angular momenta; Spin- pauli Exclusion Principle; Slater determinants; Term symbol (RS and jj coupling) and spectroscopic states, spin-orbit coupling and Zeeman splitting; Virial theorem; Born-Oppenheimer approximation; VB and MO theory, Application to H2+, H2 molecule; Hückel molecular orbital theory and its application to ethylene, butadiene and benzene; Hybridization and valence MOs of some simple molecules.

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CH202 Inorganic Chemistry

Acid-Base Chemistry: Definitions and concepts- Brønsted Lowry, Lux-Flood, Solvent system, Lewis, Usanovich, Hard-Soft Acid and Base (classification, strength and relation with electronegativity). Redox reactions and oxidation states, Reduction potentials and Gibbs energy, Disproportionation, Potential diagrams, Frost–Ebsworth diagrams, The effect of complex formation or precipitation on M2+/M reduction potentials, Applications of redox reactions to industrial processes. Chemistry of Boron (Hydrides, halides, Oxides, oxoacids, oxoanions and hydroxides), Chemistry of Silicon, Chemistry of Phosphorus (Oxides and oxoacids of P, Phosphazines). Halides, oxohalides, complex halides, oxides of Se, Te and oxoacids/salts, Interhalogen compounds and polyhalogen ions, Oxides and oxofluorides, Oxoacids and salts of Chlorine, Chemistry of Xenon.

Texts:

1.Catherine E. Housecroft, and Alan G. Sharpe, Inorganic Chemistry, Prentice Hall; Third edition, 2007

2.James E. Huheey, Ellen A. Keiter, Richard L. Keiter and Okhil K. Medhi, Inorganic Chemistry: Principles of Structure and Reactivity, Imprint: Pearson Education, First Edition, 2006.

3.D. J. Shriver, P. W. Atkins, and C. H. Langford, Inorganic Chemistry, 2nd Ed., ELBS ,1994.

Reference:

1.F. A. Cotton and G. W. Wilkinson, Advanced Inorganic Chemistry; 5th Ed., John-Wiley & Sons, 1988.

CH204 Polymer Chemistry

Basic Principles: Introduction and historical development, types of polymerization reaction, Nomenclature, Industrial polymers, Number and weight average molecular weights and their measurement techniques, Viscometry, molecular weight distribution. Chemical structure and polymer morphology: Amorphous state and crystallinity, Glass transition temperature, stereochemistry, crosslinking, polymer blends. Chemical structure and polymer properties: Thermal stability, mechanical properties, flammability, chemical resistance, degradability and electrical conductivity. Free radical polymerization: Introduction, free radical initiators, kinetics, mechanism and stereochemistry. Ionic polymerization: cationic and anionic polymerization - kinetics, mechanism and stereochemistry. Transition metals in polymerization: Ziegler-Natta polymerization and Metathesis polymerization

Texts:

1.Malcolm P. Stevens, Polymer Chemistry: An Introduction, Oxford University Press, USA, Third Edition, 1998
2.Robert J. Young, and Peter A. Lovell, Introduction to Polymers, CRC Press, Third Edition, 2011

References:

1.Paul C. Hiemenz, and Timothy P. Lodge, Polymer Chemistry, CRC Press, Second Edition, 2007.

CH206 Medicinal Chemistry and Drug Discovery

Introduction to medicinal and pharmaceutical chemistry: Methods of classification of drugs based on structure and biological activity; Study of the chemistry and synthesis of the following classes of drugs: Anti-infective agents such as antiseptic and disinfectant, antibiotics (including stability and degradation products), antiparasitic, antiamoebic, antihelminitic, antimycobacterial, antifungal, anticancer, antiviral; Non-steroidal anti-inflammatory agents (NSAIDs); Drugs used in hypertensive, vasodilator, immunopharma-cology; Large scale synthesis: bench-scale experimentation, scale up, scale up from bench to pilot plant, commercial scale operation, example - Nevirapine.

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CH208 Chemical Thermodynamics and Equilibrium

Ideal gases, real gases, critical state; thermodynamic laws; reversible and irreversible processes; Thermochemistry: Hess’s law, Kirchoff’s equation; Joule-Thompson Experiment and Co- efficient, Entropy; application of thermodynamic laws; Carnot cycle; Clausius inequality; equations of state; Gibbs and Helmholtz free energies; Maxwell equations and thermodynamic properties of pure substances; The thermodynamic description of mixtures, Colligative properties; chemical potential; chemical equilibria; equilibrium constant; Le Chatelier principle; Clapeyron equation; phase equilibria: Gibbs phase rule, one component systems and two component systems – simple eutectic, Solid solutions – congruent melting and incongruent melting.

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CH220 Chemical Technology Lab-I

Identification of unknown organic compounds: element detection, confirmation of the functional groups, derivatization; Separation technique: normal and reduced pressure distillation, solubility method, column chromatography method, sublimation; Isolation of medicinal compounds from plants/other sources: soxhlet extraction; Preparation: aspirin, paracetamol, imidazole, dye preparation; multistep synthesis; Estimation of organic compounds: paracetamol, glucose; Characterization of unknown organic compounds by UV-Vis, IR and 1H-NMR techniques; Experiment based on polymer science, electrophoresis, protein estimation, catalytic hydrogenation.

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HS2XX HSS Elective-II

XX2XX Science Elective

ME305/CBXXX Heat and Mass Transfer

CH 301 Industrial Chemistry

Hydrazine: Manufacturing of hydrazine, Raschig process, Urea process, Bayer process, H2O2 process; Use of hydrazine as rocket fuel, in fuel cell; Insecticides and Herbicides: Definition and classification of Insecticides; Manufacturing of insecticides;Environmental effects; Definition and classification of Herbicides, Health effect; Mineral Fertilizers; Economic Importance, Manufacturing of N and P-containing Fertilizers; Construction Materials: Lime, Quicklime, Slaked Lime; Cement, Miscellaneous cement types, Composition and manufacturing of cements; Enamel: Classification, Enameling, Coating processes, Stoving of enamels; Ceramics: General Information and Classification, Physical: Chemical Processes related to manufacturing of clay ceramics, Metal and Metalloid ceramic materials; Metallic hard materials and fibers.

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CH303 Chemical Kinetics and Electrochemistry

Rates of Chemical reactions: Elementary rate laws, temperature dependence of rate, opposing reactions, consecutive reactions, parallel reactions; Reaction mechanism, unimolecular reactions, reversible reactions; Relaxation method; Principle of microscopic reversibility; Complex reactions: chain reactions, branched chain reactions, polymerization reactions, catalysis, autocatalysis, enzyme catalysis; Theories of chemical kinetics: Collision theory, activated complex theory; Ionic reactions, kinetic salt effect; Adsorption and surface catalysis; Photochemistry: rates of photochemical processes, complex photochemical processes; Photosynthesis; Equilibrium Electrochemistry: Electrochemical cells, cell representation, types of electrodes, half reactions, standard potentials, types of electrochemical cells, cell reactions, cell EMF; Activity and activity coefficients; Debye Huckel theory; Applications of standard potentials: electrochemical series, determination of activity coefficient; pH, pKa, solubility product; thermodynamic functions; Batteries and Fuel cells; Over potential; Mechanism of electrode reactions; Corrosion.

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CH305 Biochemistry and Biotechnology

Molecular components of cells: Proteins-3d conformation, lipids & membranes, sugars & storage polysaccharides, nucleotides-3d structure, vitamins and coenzymes. Catabolic and anabolic pathways: Oxidative degradation of fatty acids & amino acids; electron transport and phosphorylation; Biosynthesis of carbohydrates, lipids, amino acids & nucleotides. Biochemistry and origin of life:Transcription, translation, genetic code, gene expression and regulation, morphogenesis. Recombinant DNA technology:Polymerase Chain reaction, Gene manipulation for therapy, Genetically modified organisms (GMO), therapeutic proteins from GMOs; SNP, VNTRs, DNA vaccines, Antisense technology; microarrays; genomic and cDNA libraries. Different aspects of Biotechnology: Biotechnology processes for oil recovery (microbial), toxic wastes treatment,petroleum wastes treatment etc.; Biofuels: energy recovery systems for urban waste, technology evaluation, alcohol production from organic wastes; Biotechnology-derived Drug Products: Formulation Development, Stability Testing, Filling, and Packaging. Biosensors-Biocatalysts based, bio affinity based biosensors & microorganisms based biosensors, types of membranes used in biosensor constructions, applications of biosensors.

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CH307 Analytical Techniques in Chemistry

Infrared spectroscopy: instrumentation and application in chemistry. Vibrations of polyatomic molecule, group frequency and its application, Electronic Spectroscopy: General principles and instrumentation, analytical applications: qualitative and quantitative analysis of inorganic and organic compounds. Nuclear magnetic resonance Spectroscopy: General principles, sensitivity of the method, Instrumentation. Application in chemical analysis (with special reference to 1H – NMR): basic definitions, shift reagents, off-resonance decoupling, multinuclear NMR. Mass spectrometry: theory and principles, Instrumentation, Methods of ionization. Structure elucidation of inorganic and organic compounds. Thermal Analysis (TGA and DSC) and its application in chemistry.

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CH310 Chemical Technology Lab II

Modern synthetic and analytical techniques to synthesize and characterize industrially important inorganic compounds; Use of electro-inorganic synthesis, photosynthesis and nano-material synthesis for the preparation of inorganic materials; Synthesis and characterization of alum, phosphate fertilizers, soaps and detergents, superconductors and nano -matertials; Environmental inorganic chemistry: preparation of clathrate compounds and applications in catalysis. Engineering

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CH302 Environmental Science and Technology

Atmospheric composition and behavior; Principles of contaminant behavior in the environment; Chemistry in aqueous media; Chemical and physical reactions in the water environment; Major contaminant groups and their natural pathways for removal from water, Soil: Groundwater and subsurface contamination, Soil profiles, Acid-base and ion exchange reactions in soils, Fertilizers, wastes and pollutants in soil; Atmosphere and atmospheric chemistry: Inorganic and organic air pollutants, Sulfur dioxide sources and the sulfur cycle, Nitrogen oxides in the atmosphere, Smog forming reactions of organic compounds in the atmosphere, Mechanisms of smog formation; Nature and importance of chemical analysis: Major categories of chemical analysis, Application of analytical chemistry to environmental chemical analysis.

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CH304 Petroleum and Petrochemicals

Origin, formation and composition of petroleum, petroleum processing: fractionation, blending of gasoline, gasoline treatment, kerosene treatment, treatment of lubes, petroleum wax and purification; Thermal and catalytic processes: thermal cracking, catalytic cracking, catalytic reforming, naphtha cracking, coking, hydrogen processes, alkylation, isomerization processes; polymer gasoline, asphalt, upgradation of heavy crudes; Specialty products: industrial gases, liquid paraffin, petroleum jelly; Sources of petrochemicals; Synthesis of methanol, formaldehyde, acetylene, synthetic gas, ethanol, ethylene, ethylene glycol, vinyl acetate, acrylic acid and acrylates, acrylonitrile, acetone, acetic acid, chloroprene, vinyl chloride, vinyl acetate, acrylonitrile, propylene, butadiene, butanes, isobutene, dipic acid, adiponitrile, benzene, toluene, xylene, phenol, styrene, phthalic acid, phthalic anhydride and their applications in chemical industry.

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CB302Chemical Reaction Engineering

Classification of chemical reactions; single, multiple, elementary and nonelementary homogeneous reactions; order and molecularity; temperature dependency; constant and variable volume batch reactor; reaction rate; rate constant; collection and interpretation of kinetic data; parallel and series reaction; batch, ideal plug flow and CSTR reactor design with and without recycle; temperature and pressure effects; Residence Time Distribution.

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CH306 Computational Chemistry

Wavefunction of a particle in a box, harmonic oscillator, anharmonic oscillator, r- dependent wavefunction of a hydrogen atom, atomic & hybridized orbitals, Wein’s Law, Ionization energy of hydrogen, Time dependent Perturbation theory: , Integration of Schrodinger Equation: 1D box, spherical box, simple harmonic oscillator, Eigen Values and Eigen Vectors, SCF energies and dipole moment, Calculation of auto-correlation function Fourier Transform and Spectral Applications.

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CH308 Dyes, Paints and Pigments

Paints: Compositions binders, extender, thinner and surface active agents; functions of the ingredients; Paint formulations; Importance of PVC, alkyds, epoxy and polyurethane resins. Pigments: Introduction – Requirements of a pigment, typical inorganic pigments, general information and economic Importance, White pigments, Titanium Dioxide Pigments, Manufacturing processes for TiO2 pigments, Applications for TiO2 pigments, Lithopone and Zinc Sulfide pigments, Iron Oxide pigments, Chromium(III) Oxide Pigments, Magnetic Pigments, Manufacture of magnetic Pigments. Dyes: Colour and chemical constitutions; classification; brightening agents; cyanine dyes; chemistry of colour developer – instant colour processes; synthesis and applications of methyl Orange, congo red, crystal violet, malachite green, phenolphthalein, fluorecein, alizarin and Indigo and Rhodamine B etc. phenolphthalein, fluorecein, alizarin and Indigo.

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CH320 Chemical Technology Lab-III

Experiments based on various physical properties such as viscosity, surface tension, optical rotation and refractive index, light absorption and emission (spectroscopy); Experiments based on chemical kinetics and thermodynamics: determination of order of simple reactions, energy of activation, equilibrium constants, determination of thermodynamic functions; Experiments based on sound velocity in liquids systems. Experiments based on EMF and conductance measurements: determination of electrode potentials, solubility product, pH equivalent conductance; Determination of the CMC of surfactants from Conductivity and Surface Tension Measurements, Equilibrium: Adsorption of an Organic Acid by Activated Carbon in Aqueous Media using the Langmuir Adsorption Isotherm and determination of surface area; Experiments based on phase equilibria: Study of binary and ternary liquid systems; Measure the rate constant for electron transfer by quenching using Stern-Volmer equation.

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HS3XX HSS Elective

CH400 Summer Training

CH401 Catalysis

The basics of catalysis. Different types of catalysts. Homogeneous and Heterogeneous catalysis. Freundlich adsorption isotherm, Langmuir adsorption isotherm, determination of surface area of adsorbent, BET adsorption isotherm, thermodynamic treatment of adsorption, adsorption at the surface of a liquid. Biocatalysis, design and developing industrial catalysts: preparation of catalysts; characterization of catalysts; Practical examples of catalysts. Organocatalysis, enzymatic catalysis, transition metal catalysis etc.

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CH4XX Dept. Elective I

CH4XX Dept. Elective II

XX4XX Open Elective-I

CH410 Project-I

CH403 Group Theory Spectroscopy

Group Theory: Definition of group, symmetry, point groups, representation of group, orthogonality theorem, irreducible representation, character table, direct sum, direct product, derivation of projection operator; Spectroscopy: Electromagnetic radiation and its interaction with matter; Uncertainty principle: Natural line width and broadening; Molecular Spectroscopy: Energy levels, MO, vibronic transitions, Franck-Condon principle, electronic spectra of polyatomic molecules; Microwave: classification of molecules, selection rules, intensity of spectral lines, effect of isotopic substitution; Infrared: Review of harmonic oscillator, selection rules, vibrational energy of diatomic molecules, zero point energy, force constant and bond strength; anharmonicity, Morse potential energy diagram, vibration-rotation spectroscopy, P, Q, R, branches; Breakdown of Born-Oppenheimer approximation, vibration of polyatomic molecules; normal mode of vibration, group frequencies, overtone, hot bands; Raman: Classical and quantum theories of Raman effect, pure rotational, vibrational and vibrational-rotational Raman spectra, selection rules, mutual exclusion principle; Resonance Raman.

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CH 405 Material Chemistry

Introduction to Materials Chemistry. Materials for Solid State Devices: Rectifiers, transistors, capacitors - IV-V compounds - low -dimensional quantum structures, optical properties, Nonlinear Optical Materials: Nonlinear optical effects, second and third order - molecular hyperpolarisability and second order electric susceptibility - materials for second and third harmonic generation. Polymeric Materials: Molecular shape, structure and configuration - crystallinity - streestrain behavior - thermal behavior - polymer types and their applications - conducting and ferroelectric polymers. Liquids Crystals: Mesmorphic behavior - thermotropic and lyotropic phases - description of ordering in liquid crystals, the director field and order parameters - nematic and semectic mesophases, smectic -nematic transition and clearing temperature - homeotropic, planar and twisted nematics - chiral nematics - smectic A and smectic C phases - cholesteric-nematic transition - optical properties of liquid crystals - effect of external field.

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CH407 Advanced Organometallic Chemistry

18-electron rule; Stabilisation of low oxidation state of metals; Metal carbonyls, nitrosyls, cabonyl hydrides, isolobal analogy, dioxygen and dinitrogen compounds; Metal alkyls, carbenes, carbynes, alkenes, alkynes, and allyl complexes; Hydrides, Metallocenes, Metal arene complexes; Carbonylate anions, agostic interaction, Oxidative addition and reductive elimination, insertion and elimination reactions; Industrial organometallic catalysis: Homogeneous and heterogeneous catalysis; Organomeatllic reagents in drugs synthesis Fluxional molecules; Metal-Metal bonding and Metal clusters; Organometallic materials : synthesis and applications; Biological and environmental aspects of organometallic compounds.

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CH 409 Application of Statistical Mechanics to Chemistry

Introduction and reviews of classical mechanics, quantum mechanics and thermodynamics; Microstates, macrostates, canonical, grand canonical and microcanonical ensemble; Boltzmann distribution for distinguishable particles; The emergence of temperature from conditions for equilibrium; postulate for entropy; Partition function for a single particle; Thermodynamic potentials and variables in terms of partition function, energy degeneracy and partition functions, many (weakly interacting) particle partition function, derivation of thermodynamics of a simple harmonic oscillator, distinguishable and indistinguishable particles, counting states of a gas of indistinguishable particles, density of states, partition function of an ideal gas, derivation of the equation state of an ideal gas;the Gibbs paradox and indistinguishibility;Application of the theory of statistical mechanics to the chemical problems related to rotational specific heat of gases; Maxwell-Boltzmann distribution of velocities; Quantum statistics (Bose-Einstein and Femi-Dirac) for indistinguishable particles; Photon gas; Density of states for photons; Black body radiation; Debye frequency and specific heat of phonons, heat capacity of a Fermi gas, the classical limit from the quantum mechanical expression for paritition function, distribution functions in classical monatomic liquids, direct correlation function, density expansions of the various distribution functions.

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CH501 Nanobiotechnology

CH4XX Dept. Elective III

CH4XX Dept. Elective IV

CB406 Bio Process Engineering

Introduction to Bioprocesses : Traditional and modern bioprocess Engineering- overview, integrated bioprocess, upstream and downstream operations, process flow sheets; Material balance and Energy balance for different systems; Stoichiometry of cell growth and product formation; Energetic analysis of microbial growth and product formation; thermodynamic efficiency of growth, Enzyme technology- Enzyme kinetics, immobilization and industrial production. Fermentation Processes: Fermentation processes-outline, overview & types, design, parameteres & construction of fermentor and ancillaries; application in the biotechnology industry; kinetic models for microbial growth; behavior of microbes in different reactors; Media design: requirements for fermentation processes and optimization techniques (placket Burman Design). Separation technology : Solids removal operations - settling, centrifugation and filtration; Product isolation - adsorption and extraction; Purification techniques - precipitation, ultrafiltration, chromatography and electrophoresis; Product polishing operations- crystallization and drying; Integrated bio-reaction and bio-separation processes-membrane bioreactors, extractive fermentation. Bioprocess Engineering and Industry:

Environmental biotechnology - wastewater engineering, bioremediation; Bioprocess instrumentation; Biological systems for the production of commercial goods and services: foods, feed, pharmaceuticals, nutraceuticals, chemicals, polymers, fuels, equipment, diagnostics and other biomaterials; good manufacturing practices, Safety and regulatory issues.

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XX4XX Open Elective-II

HS4XX HSS Elective

CH411 Project-II

CH 402 Biological Chemistry of Metal Ions

Essential and trace metals; Role of alkali and alkaline earth metal ions, Na+-K+ Pump, ionophores and crown ethers; Metal ion transport and storage: Ferritin, Transferrin, Siderophores and metallothionein; Electron Transfer: Cytochromes, Fe-S proteins and Copper proteins; Oxygen transport and storage: Hemoglobin, myoglobin, hemerythrin, hemocyanin; Oxygen activation: Cytochrome P450, Cytochrome c oxidase; Others: Catalase, peroxidase, superoxide dismutase, alcohol dehydrogenase, carbonic anhydrase, carboxypeptidase, xanthine oxidase, nitrogenase, vitamin B12 coenzyme, photosystem I and II, oxygen evolving center; Hazardous coordination complexes; Coordination complexes as medicines.

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CH512 Nanotechnology for Medical Diagnostics and Therapy

CH404 Chemical Approaches to Nanoscale Science and Technology

Properties of materials with nanoscale dimensions; Zero, one, two and threedimensional materials; Inorganic Nanomaterials: Metallic nanocrystals with special emphasis on coinage metals, semiconductor nanocrystals, quantum dots, magnetic materials, syntheses, characterizations and properties; Carbon nantubes; Organic and biological nanostructures; Measurements: Optical spectroscopy and microscopy, scanning probe microscopy, scanning electron microscopy, transmission electron microscopy and X-ray diffraction; Applications: Catalysts, sensors, actuators, display systems, molecular devices and nanobiotechology.

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CH406 Colloids and Surface Chemistry

Colloidal state of matter. Properties of lyophillic and lyophobic colloidal solutions. Thermodynamics of electrified interface, stability of colloidal solutions: Theory of Verwey and Overbeek, colloidal electrolytes, polyelectrolytes. Donnan membrane equilibria. Determination of molecular weight of macromolecules. Micelles, reverse micelles. Surface energetics and adsorption from liquids. Emulsion, detergent, gels and foams. Applications in detergents, personal‐care products, pharmaceuticals, nanotechnology, and food, textile, paint and petroleum industries.

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CH502 Supramolecular Chemistry

CH511 Theory and Modelling in Nanoscience

CH 103 Introductory Chemistry

PHYSICAL CHMEISTRY

Thermodynamics: The fundamental definition and concept, the zeroth and first law. Work, heat, energy and enthalpies. Second law: entropy, free energy and chemical potential. Change of Phase. Third law. Chemical equilibrium, Chemical kinetics: The rate of reaction, elementary reaction and chain reaction.

Electrochemistry: Conductance of solutions, equivalent and molar conductivities and its variation with concentration. Kohlrausch’s law-ionic mobilities, Transference number of ions. activities, application of Debye-Huckel theory. The Walden’s rule. Debye-Huckel-Onsager treatment. Electrochemical cells, Nernst equation. Application of EMF measurements. Liquid junction potential, commercial cells – the primary and secondary cells. Fuel cells.

INORGANIC CHEMISTRY

Coordination chemistry: ligand, nomenclature, isomerism, stereochemistry, valence bond, crystal field and molecular orbital theories. Bioinorganic chemistry: Trace elements in biology, heme and non-heme oxygen carriers, haemoglobin and myoglobin; organometallic chemistry.

ORGANIC CHEMISTRY

Stereo and regio-chemistry of organic compounds, conformers. Bioorganic chemistry: amino acids, peptides, proteins, enzymes, carbohydrates, nucleic acids and lipids. Modern techniques in structural elucidation of compounds (UV – Vis, IR, NMR). Solid phase synthesis and combinatorial chemistry. Green chemical processes.

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CH110 Chemistry Lab

Estimation of metal ion: Determination of total hardness of water by EDTA titration. Experiments based on chromatography: Identification of a mixture containing two organic compounds by TLC. Experiments based on pH metry.: Determination of dissociation constant of weak acids by pH meter. Experiments based on conductivity measurement: Determination of amount of HCl by conductometric titration with NaOH. Synthesis and characterization of inorganic complexes: e. g. Mn(acac)3, Fe(acac)3, cis-bis(glycinato)copper(II) monohydrate and their characterization by m. p. IR etc. Synthesis and characterization of organic compounds: e.g. Dibenzylideneacetone. Kinetics: Acid catalyzed hydrolysis of methylacetate. Verification of Beer-Lamberts law and determination of amount of iron present in a supplied solution. Experiments based on electrogravimetry and electroplating. Experiments based on magnetometry.

CH102 Chemistry-II

Polymer Chemistry

Polymer Chemistry in Everyday Life: Introduction to polymer chemistry. Plastics, reinforced plastics & rubbers: production of household goods, Polymers in medicine and drugs, surgery and cosmetics.

Methods in Chemical Biology: Chemical Methods to synthesize artificial Proteins and peptides, Chemical Methods to synthesize artificial DNA and RNA.

Recombinant DNA Technology: Recombinant DNA technology-concept of Cloning, Concepts of Gene and genome, Gene transfer and Gene therapy, DNA fingerprinting: application in Forensic Science (crime investigation & parental testing).

Chemistry of Environment

Environment and Ecosystem: Basic idea and definition of environment and ecosystem and important components, Environmental protection and Hazards- importance and identification of sources.

Technology for Air and Water Pollution Control: Air Pollutants and their effect on Health, Sources of air pollution- artificial and natural, "Clean Air Act"; Technology for air pollution control: Particulate control, Scrubbers, catalytic converters, VOC abatement, Water pollution categories: point and non point source, Industrial and domestic waste water management.

Alternative Energy Sources: Biofuels- alcohol, hydrogen production technology, Biofuels from Jatropa, Green energy: sources, efficiency and sustainability; Energy from Biomass and solid waste, Renewable energy resources: solar, wind, hydro, geothermal, ocean, fuel cells.

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CH201 Green Chemistry and Technology

Principles and Concepts of Green Chemistry: Sustainable development, atom economy, reducing toxicity. Waste: production, problems and prevention, sources of waste, cost of waste, waste minimization technique, waste treatment and recycling. Catalysis and Green Chemistry: Classification of catalysts, heterogeneous catalysts heterogeneous catalysis, biocatalysis. Alternate Solvents: Safer solvents, green solvents, water as solvents, solvent free conditions, ionic liquids, super critical solvents, fluorous biphase solvents. Alternative Energy Source: Energy efficient design, photochemical reactions, microwave assisted reactions, sonochemistry and electrochemistry. Industrial Case Studies: Greening of acetic acid manufacture, Leather manufacture (tanning, fatliquoring), green dyeing, polyethylene, ecofriendly pesticides, paper and pulp industry, pharmaceutical industry. An integrated approach to green chemical industry.

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CURRICULUM

SEMESTER - I

01CH-421Quantum Chemistry3-0-0-602CH-423Principles of Organic Chemistry3-0-0-603CH-425Chemistry of s- and p-block elements3-0-0-604CH-427Symmetry and Group Theory for Chemist3-0-0-605CH-429Biochemistry3-0-0-606CH-430Organic Chemistry Lab0-0-6-607HS-513Technical Communication2-0-0-4 Total Credits40

SEMESTER - II

SEMESTER - III

SEMESTER - IV

Total credits: 40 + 40 + 38 + 34 = 152

SEMESTER I

Principles of Quantum Mechanics. Review of vectors and vector spaces, matrices and determinants, eigenvalues and eigenvectors, similarity transformations, ordinary differential equations- first and second order. Solution of differential equations by power series method: solutions of Hermite equation in detail. Orthogonality properties and recurrence relations. Introduction to the solutions of Legendre and Laguerre differential equations, Spherical Harmonics. Introduction to Fourier series and Fourier transforms, convolution theorem.

Solution of the Schrodinger equation for exactly solvable problems such as particle-in-a- box, particle-in-a-ring, harmonic oscillator and rigid rotor. Tunneling, one dimensional potential barriers and wells.

Postulates of quantum mechanics, wave functions and probabilities, operators, matrix representations, commutation relationships. Hermitian operators, Commutators and results of measurements in Quantum Mechanics. Eigenfunctions and eigenvalues of operators and superposition principle. States as probability distributions and expectation values. The expansion of arbitrary states in terms of complete set.

Angular momentum, commutation relationships, basis functions and representation of angular momentum operators, Coupling (addition) of angular momenta, Clebsch-Gordan coefficients and Wigner-Eckart theorem.

Solution of the Schrodinger equation for the hydrogen atom, radial and angular probability distributions, atomic orbitals and electron spin, Pauli’s exclusion principle and Aufbau principle. RS/jj coupling & Zeeman effect.

The time dependent Schrödinger equation. Co-ordinate and momentum space representation of operators and eigenstates; Properties of eigenstates – single-valuedness, double differentiability, continuity, boundedness / square integrability. Discrete and continuous distributions; Unitary evolution and reversibility. Schrodinger and Heisenberg representations. Projections and irreversibility.

Time-independent perturbation theory, degenerate states, variational method, Hellmann-Feynman theorem, Spectra and structure of helium atom, term symbols for atoms.

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Structure and Bonding: Review of basic principles of structure and bonding, application of acid base concepts, HSAB theory, aromaticity and antiaromaticity, Hückel’s rule, anti-aromaticity, y-aromaticity, homo-aromaticity n-annulenes, heteroannulene, fullerenes. Reactive intermediates: Carbocations, carbanions, carbenes. electrophiles and nucleophiles. Reactivity, kinetics, and mechanisms. Energy surfaces and transition states. Hammond Postulate. Isotope effects. Hammet plot. Steric and polar effects. Empirical scales of solvent effect. pH and Bronsted relationship. Mechanism and catalysis of proton transfer. Stereochemistry: Conformational analysis of cycloalkanes, effect of conformation on reactivity. Elements of symmetry, chirality, molecules with more than one chiral center, projection formulae (i) Fischer (ii) Sawhorse (iii) Newman (iv) Flying Wedge; threo and erythro isomers, methods of resolution, optical purity, enantiotopic and diastereotopic atoms, groups and faces, stereospecific and stereoselective synthesis. Asymmetric synthesis. Optical activity in the absence of chiral carbon.

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Chemistry of s- and p- block elements: Alkali and alkaline earth metals: The metals and their halides, oxides and hydroxides, Aqueous solution chemistry including macrocyclic complexes and non-aqueous coordination chemistry.

p-block elements: halides, oxides, oxoaacids and oxoanions, boranes, carboranes, metallocarboranes, nitrides, phosphides, and arsenides, phosphazenes, sulfides and selenides, Interhalogen compounds and polyhalogen ions, compounds of xenon, krypton and radon

Organometallic compounds of s- and p-block elements.

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The concept of groups, symmetry operations and symmetry elements in molecules, matrix representations of symmetry operations, point groups, irreducible representations and character tables.

Great orthogonality theorem and its proof.

Application of group theory to atomic orbitals in ligand fields, molecular orbitals, hybridization.

Classification of normal vibrational modes, selection rules in vibrational and electronic spectroscopy.

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Chemistry of Biomolecules:Proteins, lipids & membranes, carbohydrates, nucleic acids, vitamins and coenzymes.

Molecular mechanisms of fundamental processes: Metabolism of proteins, lipids and carbohydrates, electron transport and phosphorylation; Biosynthesis of carbohydrates, lipids, amino acids & nucleic acids.

Biochemistry of Enzymes:Physical organic chemistry of enzymatic catalysis, Analysis of enzyme kinetics and receptor-ligand interactions, Enzymatic reaction mechanisms.

Fundamentals of genetics and evolution: Central dogma of life, Introductory genetics, Regulation of gene expression, mutation and genetic diseases

Biochemistry of viruses and virus infection: Fundamentals of virus properties, virus multiplication, disease mechanisms, prevention and intervention of infection, threats to human and animal health through emergence and evolution.

Biochemical and molecular analysis of selected human diseases: Lipid metabolism and atherosclerosis, cell cycle regulation and oncogene function in cancer, human immunodeficiency virus (HIV), acquired immunodeficiency disease syndrome (AIDS), autoimmune diseases.

Biochemical techniques: Different analytical techniques to intercept proteins, DNA, RNA; recombinant DNA techniques, fingerprinting technology and PCR.

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Separation of two-component mixtures of organic compounds. Synthesis and isolation of organic compounds with an emphasis on different techniques of reaction set-up (air-sensitive, moisture-sensitive etc.), separation / purification (extraction, Soxhlet extraction, recrystallization, distillation, column chromatography) and monitoring of reaction by TLC. Structure determination of the isolated pure compounds by NMR spectroscopy, IR Spectroscopy and Mass spectrometry.

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SEMESTER II

Classical Thermodynamics:Concept of entropy, reversible and irreversible processes, Clausius inequality, Free energies, Criteria of spontaneity. Fundamental equations for open systems, Partial molar quantities and chemical potential, Gibbs-Duhem equation, Real gases and fugacity.

Thermodynamics of ideal and non-ideal solutions: Liquid-liquid solutions, liquid-solid solutions, multicomponent systems and excess thermodynamic properties, Activity of ideal, regular and ionic solutions. Thermodynamic equation of state. Phase behaviour of one and two component systems, Ehrenfest classification of phase transitions.

Statistical Thermodynamics: Concept of ensembles, Canonical ensemble, Boltzmann distribution, Thermodynamic quantities and canonical partition function. Grand canonical ensemble, Fermi-Dirac and Bose-Einstein distributions. Molecular partition functions, translational, rotational and vibrational partition functions. Ideal monoatomic and diatomic gases, classical partition functions, thermodynamic properties, Equipartition theorem, Chemical equilibrium.

Real gases, intermolecular potential and virial coefficients. Debye and Einstein theory of heat capacity of solids. Structure and thermal properties of liquids, Pair correlation functions.
Linear response theory, Irreversible processes, Onsager's law, Entropy production, Non-equilibrium stationary states.

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Oxidation: Oxidation involving organosulfur (such as Swern) and organoselenium compounds; Dess-Martin, IBX and related hypervalent iodine based oxidations, Ag²CO³/celite Prevost, photosensitised oxidation, dimethyldioxirane, RuO⁴, 2-sulfonyl
oxaziridne, transition metal catalysed oxidation, oxidation at unfunctionalised carbons, Fleming-Tamao oxidation, and microbial oxidations.

Reduction:Using silanes, Al and B based reagents (e.g. DIBAL, L-selectride, K-selectride, Red-Al etc.), low valent Ti species, microbial reductions (NADH model etc.).

Asymmetric Synthesis: Sharpless epoxidation and dihydroxylation, Jacobsen’s epoxidation, Corey’s oxazaborolidine catalyzed reduction, Noyori’s BINAP reduction, SAMP, RAMP, Evans oxazoline and Oppolzer sultams, Aldol reaction (in brief: only principles using models).

C-C Bond Formation :

C-H activation by using metal and organocatalysis

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Chemistry of Transition Metals: Transition Metal Chemistry: Introduction (Periodic trends and Electronic configurations), Bonding in Coordination Complexes: Crystal-Field theory and Ligand Field theory, Molecular Orbital Theory, Jahn-Teller effect, Spectrochemical series, nephelauxetic series. Electronic Spectra: d-d transitions, Orgel and Tanabe-Sugano diagrams, charge-transfer spectra. Aqueous chemistry of 3d ions (Frost diagram and Irving–Williams series), Magnetic properties.

Reaction mechanisms of d-Block metal complexes: Aspects of Ligand substitutions in square planar and octahedral complexes; Electron-transfer processes: inner sphere and outer sphere mechanism;

Inner transition metals: Introduction (f-orbitals and oxidation states, atomic and ionic sizes), spectroscopic and magnetic properties, Inorganic/organometallic compounds and coordination complexes.

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Introduction: Interaction of radiation with matter, Einstein coefficients, time dependent perturbation theory, transition probability, transition dipole moments and selection rules, factors that control spectral linewidth and lineshape. Beer-Lambert law and absorbance.

Molecular Spectroscopy:The rigid diatomic rotor, energy eigenvalues and eigenstates, selection rules, intensity of rotational transitions, the role of rotational level degeneracy, the role of nuclear spin in determining allowed rotational energy levels. Classification of polyatomic rotors and the non-rigid rotor.

Vibrational spectroscopy, harmonic and anharmonic oscillators, Morse potential, mechanical and electrical anharmonicity, selection rules. The determination of anharmoncity constant and equilibrium vibrational frequency from fundamental and overtones. Normal modes of vibration, G and F matrices, internal and symmetry coordinates.

Electronic transitions, Franck-Condon principle. Vertical transitions. Selection rules, parity, symmetry and spin selection rules. Polarization of transitions. Fluorescence and phosphorescence. Raman spectroscopy, polarizability and selection rules for rotation and vibrational Raman spectra. Nuclear Magnetic Resonance Spectroscopy: Introduction. General principles, Chemical shift, spinspin splitting, area of peak, shift reagents.

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Nuclear Magnetic Resonance: The contact and pseudo contact shifts, factors affecting nuclear relaxation, some applications including biological systems, an overview of NMR of metal nuclides. Chemical shift, spin-spin interaction, shielding mechanism, complex spin-spin interaction, virtual coupling stereochemistry, hindered rotation, Karplus curve, variation of coupling constant with dihedral angle, nuclear magnetic double resonance, simplification of complex spectra, shift reagent, spin tickling, nuclear overhauser effect (NOE), resonance of other nuclei. 13C NMR: Chemical shift, 13C coupling constants, two-dimensional NMR spectroscopy, NOISY, DEPT, INEPT terminology.

Cyclic Voltammetry: Basic principles, instrumentations and applications;

Thermal Methods: TGA, DSC and DTA;

UV-Vis: Woodward rule for conjugated dienes and carbonyl compounds.

IR: Characteristic vibrational frequencies of different functional groups, effect of hydrogen bonding and solvent effect on vibrational frequencies, overtones, combination and Fermi resonance bands.

Mass: Instrumentation, Mass spectral fragmentation of organic compounds, McLafferty rearrangement, examples of mass spectral fragmentation of organic compounds with respect to their structure determination.

ORD & CD: Definition, deduction of absolute configuration, octant rule for ketones.

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Reference Book:

Numerical methods with basic understanding of theoretical and computational chemistry, methodologies and terminology using C or FORTRAN or Python programming.

Detailed C or FORTRAN or Python programming:
Numerical interpolation, Polynomial and cubic spline interpolation, extrapolation of data.
Numerical first and second derivatives, error analysis and Richardson’s method.

Non-linear equations and roots of polynomials, Newton-Raphson method, secant method and Bairstow method.

Numerical integration: Gaussian quadrature—Gauss-Hermite and Gauss-Legendre intervals; applications form quantum chemistry with Gaussian orbitals

Linear algebra: Householder reduction and LU decompositions, matrix inversion, determinant evaluation and eigenvalues and eigenvectors of hermitian (complex) and symmetric (real) matrices. Iterative methods for large-scale eigen value problems – Lanczos recursion, Arnoldi algorithm and Davidson’s method. Or Fast Fourier transform, Fourier transform of real data in two and three dimensions.

Introduction to finite basis representation and discrete variable. Simple applications from computational chemistry and spectroscopy.

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Synthesis and characterization of inorganic compound including coordination complexes, assemblies.

Synthetic methods:solution chemistry, solid state synthesis, sol-gel methods, multi step synthesis, preparation of isomers, synthesis under inert atmosphere. Characterization: quantitative and qualitative determination of ligand and metal, use of spectral techniques (UV-Visible, IR, NMR, analytical methods (conductance, TG, DSC, cyclic voltametry).

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SEMESTER III

Theories of Reaction Rates: Potential energy surfaces-adiabatic and non-adiabatic curve crossing Processes- transition state theory- activation/thermodynamic parameters. Various theories of Unimolecular reactions. Elementary Reactions in Solutions: Influence of solvent properties on rate. Different types of molecular interactions in solution. Diffusion and activation controlled reactions. Kinetics in the Excited State: Jablonski diagram. Kinetics of unimolecular and bimolecular photophysical and photochemical processes. Resonance energy transfer rates-Fluorescence quenching kinetics in solution and gas phase.

Fast Reaction Kinetics:Relaxation methods, Stopped flow method, Laser Flash Photolysis, flow tube methods.

Electrode Kinetics: Metal/solution interface- Dependence of electrochemical reaction rate on overpotential-current density for single step and multi-step processes-Influence of electrical double layer on rate constants. Activation and diffusion controlled processes- Marcus kinetics and quadratic dependence of Gibbs free energies-electron transfer processes involving organic and inorganic compounds. Different types of overpotentials. Experimental methods for elucidation of reaction mechanism.

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Pericyclic Reactions: Molecular orbital symmetry, Frontier orbitals of ethylene, 1,3-butadiene, 1,3,5-hexatriene and allyl system. Classification of pericyclic reactions. Woodward-Hoffmann correlation diagrams. FMO and PMO approach. Electrocyclic reaction; conrotatory and disrotatory motions 4n, 4n+2 and allyl systems. Cycloaddition; antrafacial and suprafacial addition, 4n and 4n+2 systems, 2+2 addition of ketenes, 1,3 dipolar cycloadditions and cheleotropic reactions. Sigmatropic Rearrangements; suprafacial and antrafacial shifts of H, sigmatropic shifts involving carbon moieties, 3,3- and 5,5- sigmatropic rearrangements, Claisen, Cope and Aza-Cope rearrangements. Ene reaction.

Photochemistry: Quantum yields, intersystem crossing, photosensitization and energy transfer reactions. Photochemistry of olefins and carbonyl compounds, photo oxygenation and photo fragmentation, Photochemistry of aromatic compounds: isomerisation, additions and substitutions. Singlet molecular oxygen reactions. Patterno-Buchi reaction, Di-pimethane rearrangement, Bartons reaction and Photo-Fries rearrangement. Heterocyclic Chemistry: Synthesis and reactivity of furan, thiophene, pyrrole, pyridine, quinoline, isoquinoline and indole; Skraup synthesis, Fisher indole synthesis. Chemistry of Natural Products: Structure elucidation and biosynthesis of Alkaliods, Terpenoids, Steroids.

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Organometallic Chemistry: Introduction: 18- electron rule and their limitations, electron counting.; Transition Metal hydrides, alkyls, aryls, carbonyls, nitrosyls, phosphines and related ligands, Mechanism of Substitution reactions.;

Organometallic complexes of π-bound ligands (Alkene, Alkyne, Allyl, Diene, Cyclopentadienyl, Arenes and other Alicyclic Ligands);

Mechanism and application of Oxidative Addition and Reductive Elimination reaction, Insertion and Elimination, Nucleophilic and Electrophilic Addition and Abstraction.

Transition metal organometallic complexes containing multiple metal-ligand bonds: Carbenes, Carbynes, N-Heterocyclic Carbenes.

Introduction to application of organometallic reactions in Homogeneous Catalysis: Alkene Isomerization, Alkene Hydrogenation, Alkene Hydroformylation, Hydrocyanation of Butadiene, Alkene Hydrosilation and Hydroboration, cross-Coupling Reactions, and alkene metathesis.

Bioinorganic Chemistry: Biological Significance of Iron, Zinc, Copper, Molybdenum, Cobalt, Chromium, Vanadium, and Nickel and their storage and transport; Biomineralization of Iron.

Oxygen transport and storage:Hemoglobin, myoglobin, hemerythrin, hemocyanin.

Oxygen activation: Cytochrome P450, Cytochrome c oxidase.

Electron Transfer: Cytochromes, Iron-Sulfur Proteins and Copper Proteins. Other metal containing enzymes: Catalase, peroxidase, superoxide dismutase, alcohol dehydrogenase, carbonic anhydrase, carboxypeptidase, xanthine oxidase, nitrogenase, vitamin B12 coenzyme, photosystem I and II.

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Experiments on thermodynamics, kinetics, catalysis, electrochemistry, spectroscopy, photochemistry and macromolecules.

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SEMESTER IV

Module 1: Nanotechnology for Disease Diagnostics: Quantum dot conjugation strategies with DNA-aptamer, Protein and Antibody and FRET/BRET based assays for Cancer, HIV AIDS, tuberculosis and other disease diagnostics; Nanoparticle assisted multiplexed diagnostic assays (Bio-barcode amplification assay, Sandwich DNA assay, Eliza) and point-of care diagnostics
(Lateral flow assay).
Module 2: Nanotechnology for Drug delivery: Lipid, polymeric, Hyaluronic acid and heparin functionalized core shell nanoparticle as drug delivery vehicles; Carbon nanotube-based vectors for delivering immunotherapeutics and drugs, Hydrogels for drug delivery, nanoparticle induced Gene delivery for gene therapy.
Module 3: Nanotechnology for therapy: Nanodrugs for treatment of cancer (abraxane and other drugs); concept of nanodrug-encapsulation, self assembly, controlled release (targeted and triggered release), nanoparticle recovery; modified nanoparticles for Photodynamic Therapy of cancer; nanoparticle assisted vaccine development; nanoshells for surgical procedures.

Introduction to supramolecular chemistry (concepts and definitions), non-covalent forces and interactions in supramolecules, macrocycles and supramolecules (crown ethers, cryptates, cryptands, carcerands, calixarenes, cyclodextrins, fullerenes, dendrimers, rotaxanes, cucurbiturils, porphyrins), self-assembly and preorganization, coordination driven self-assembly of supramolecular two and three dimensional architectures, host-guest chemistry, molecular devices and functional supramolecular structures – molecular wires, sensors, switches and logic gate devices, nano-scalar supramolecular reactors, metal-organic frameworks and their applications, nucleobases as supramolecular motifs, introduction to supramolecular liquid crystals and supramolecular gels, introduction to nanochemistry – nanoparticles and quantum dots.

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Organotransition metal reagents: Principles, reagents developed from Titanium, Chromium, Iron, Rhodium, Nickel and Palladium. Introduction to non-metal reagents: Reagents containing Phosphorous, Sulphur, Silicon or Boron. Lanthanides in Organic Synthesis: General properties and use of Lanthanide metal compounds in different oxidation states in synthesis. Reagents from (i) Cerium (ii) Samarium (iii) Ytterbium. Oxidizing reagents: Use of reagent such as Pyridinium Chloro Chromate (PCC), Pyridinium Fluoro Chromate (PFC), Swern oxidation, DCC oxidation, Tetrapropyl ammonium peruthenate and other oxidizing agents. Reducing agents: Reductions involving NaBH4, LiAlH4, NaBH3CN, DIBAL and Red –Al.

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Electronic Spectroscopy: General principles, Electronic absorption by molecules, absorption peaks and molar absorptivity, absorption and intensity shifts. Selection rules and their implications. Instrumentation: analytical applications: qualitative and quantitative analyses. Electronic spectra of inorganic and organic compounds. Infrared Spectroscopy: principles, factors influencing Vibrational frequencies, preparation of samples, the range of IR radiation, selection rules. Instrumentation: representation of spectra, dispersive and Fourier- transform IR– Spectroscopies. Application of IR Spectroscopy to inorganic and organic compounds. Raman Spectroscopy: principles, normal, resonance and laser Raman Spectroscopies. Structure determination by symmetry selection rules (normal coordinate analysis). Application of Raman Spectroscopy to structural chemistry; Nuclear magnetic resonance Spectroscopy: General principles, sensitivity of the method, CW and FT-NMR, Instrumentation. Application in chemical analysis (with special reference to 1H – NMR): Chemical shift, spin-spin splitting, area of peak, shift reagents, off-resonance decoupling, Nuclear Overhauser Effect, solid state and gas phase NMR spectra. Introduction to fluorescence, effects of solvents on fluorescence spectra, polarization of emission, measurements of fluorescence polarization. Timeresolved fluorescence Spectroscopy. Time dependent decays of fluorescence anisotropy. Mass spectrometry: Principles, advantages and limitations of Mass Spectrometry. Instrumentation, Methods of ionization, Metastable ions. Theory of Mass Spectrometry; Structure elucidation of inorganic and organic compounds; Mössbauer Spectroscopy: The Mössbauer Effect, the Mössbauer nuclei, chemical isomer shift, quadrupole splitting, magnetic hyperfine interaction. Elucidation of electronic structure of 57Fe, 119Sn compounds using Mössbauer data, Mössbauer of biological systems.

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Retrosynthetic analysis: Basic for retrosynthetic analysis, transforms and retrons, types of transforms, Biomimitic approach to retrosynthesis, Chemical degradation as a tool for retrosynthesis, Chiron approach. Transform-based strategies: transform-guided retrosynthetic search, Diels-Alder cycloaddition as a T-goal, retrosynthetic analysis by computer under T-goal guidance, enantioselective transforms as T-goals, mechanistic transform application, T-goal search using tactical combination of transforms. Structure-based and topological strategies: Structure-goal (S-goal) strategies, acyclic strategies disconnections, ring-bond disconnectionsisolated rings, disconnection of fused-ring systems, disconnection of bridged-ring systems. Stereochemical strategies: stereochemical simplification-transform stereoselectivity, stereochemical complexity-clearable stereocenters, stereochemical strategies-polycyclic systems, Stereochemical strategies-acyclic systems. Functional group-based and other strategies: Functional group interconversion, functional group-keyed skeletal disconnections, disconnection using tactical sets of functional group-keyed transforms, strategies use of functional group equivalents, acyclic core group equivalents of cyclic functional groups, functional group-keyed removal of functional and stereocenters, functional group and appendages as keys for connective transforms. Use of several strategies: Multistrategic retrosynthetic analysis of longifolene, parontherine, perhydrohistrionicotoxin, Gibberellic acid, Picrotoxinin.

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Protein analysis & techniques: Protein purification methods: (ion-exchange, gel filtration and affinity chromatography), Protein estimation, Peptide mapping, Epitope analysis and mapping, Automated Peptide sequencing and synthesis.

Immunological Analysis: Antibody production – Hybridoma technology, Western blot and Immunoprecipitation, Immunohistochemistry, Immuno-electrophoresis, Immuno-diffusion techniques, Immunoflourescence & Flow cytometry, Immunoassay: radioimmunoassay (RIA); enzyme-multiplied immunoassay technique (EMIT); fluorescence polarisation immunoassay (FPIA); closed enzyme donor immunoassay (CEDIA); enzyme-linked immunosorbent assay (ELISA), applications of immunoassays in diagnosis centers and screening of drugs.

Recombinant DNA Techniques: automated DNA sequencing and synthesis, Techniques for the preparation of mRNA and cDNA, probes, Genome mapping, FISH (Fluorescent in-situ Hybridization), DNA fingerprinting (VNTR and micro satellite mapping), Gene cloning and expression: Cloning strategies, Production of recombinant proteins, Construction of DNA libraries, PCR methodology and applications, micro arrays.

Cell Technology Applications: Cell & Tissue culture, DNA Transfections in eukaryotes: physical and chemical methods, Antisense technology and Large-scale cultivation of cells.

Electron microscopy in Bioscience: Scanning Electron Microscopy (SEM), Transmission electron microscopy (TEM), Scanning Transmission electron microscopy (STEM) – basic technique and application in biomaterials characterization.

Electrophoresis applications: Separation of Proteins, DNA, RNA (Agarose, Page, SDS-Page), gradient, 2-D Electrophoresis - CHEF, TAFE.

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Molecular Mechanics / Force Field Methods: Introduction to molecular mechanics; comparison of popular force fields; performance of molecular mechanics, review of postulates of quantum chemistry, The Born-Oppenheimer approximation, potential energy surfaces, local and global minima, transition states, variational method and principle, Hartree-Fock molecular orbital theory: Slater determinants, anti-symmetry principle, Hartree-Fock energy expressions for arbitrary spin-orbital configurations spin integration, restricted and unrestricted references, selfconsistent- field (SCF) procedure, Basis sets: Slater and Gaussian functions, contractions, polarization and diffuse functions, split-valence sets, correlation-consistent sets, core-valence sets, general contractions, basis set exchange, types of integrals, Gaussian product theorem, permutational symmetry of integrals, The Hartree-Fock algorithm, Semiempirical methods, Geometry optimization, Vibrational frequency analysis: symmetry analysis, harmonic vs. fundamental frequencies, zero-point vibrational energies (ZPVE’s), Hessian index, distinguishing minima from transition states. Intrinsic reaction coordinates (IRC) analysis, analytic gradient theory, Electrostatics: atomic charges, dipole moment, polarizability, hyperpolarizability, Transition state theory, statistical mechanics, and thermodynamic properties, electron correlation, Configuration interaction, Many-body perturbation theory, Useful approximations: resolution of the identity (density fitting) and local correlation, Coupled-cluster theory, Density-functional theory, Nondynamical correlation and multiconfigurational selfconsistent- field (MCSCF) theory, comparison of the performance of electronic structure theories.

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Supplementary Books:

Introduction to polymers, Molecular structure : Basic definitions, nomenclature and metrics; Polymerization chemistry and kinetics; Chemistry of additives; Characterization of molecular structure : Overview, intrinsic viscosity, GPC; Characterization of molecular structure; Glass transition; Super-molecular structure; Structure in blends and copolymers; Rheology; Processing and processing performance; Solid properties : Mechanical, tribological and others; Solid properties : Electrical, optical; Enhancing performance : Blends; Enhancing performance : Composites; Cases in materials selection / design and product design.

Suggested Readings:

Structure, reactivity and reactions: Monosaccharides, oligosaccharides and polysaccharides, anomeric effect, reaction of hydroxyl group, orthogonal protection strategy, classical and modern techniques for glycosylation.

Biosynthesis and function: Key enzymes involved in biosynthesis of glycoproteins, glycolipids and glycopeptides and biodegradation of carbohydrates, altering glycosylation (glycosyaltransferases and glycosidases).

From science to applications: Glycotechnology (Mechanistic aspect of interaction of carbohydrates with other biomolecules, glyco-engineering), carbohydrate-based drug design (modified sugars as antibiotics, anti-inflammatory etc), natural products in medicinal chemistry (Nojirimycin, swainsonine as anticancer agent, heparin as anti-coagulant), carbohydrates and immunology (antiviral, antifungal, anticancer and anti-parasitic pathogens vaccines), role of sugar in the food industry, paper industry, glycol materials (design, synthesis, and characterization of such materials, photoswitchable cluster glycosides as tools) and alternate renewable source for bio-fuels production (from carbohydrates to hydrocarbons) .

Text Books::

[For 3rd/4th semester M.Sc. (Chemistry), PhD and other interested students]

Understanding macromolecules, basic definitions, nomenclature, classifications, environmental assessment Basic properties – Molecular weight, morphology and glass transition temperature, polymer conformation (end to end distance for different chain models, radius of gyration) thermodynamics of polymer solutions (Flory-Huggins theory, concept of good solvent and bad solvent) Synthesis- Step reaction polymerizations, addition polymerizations, living Polymerization techniques (anionic, cationic, ring opening metathesis, reversible-deactivation radical polymerizations), post-polymer modifications. Characterization- Spectroscopic characterization (NMR, IR, Raman, EPR etc.), surface characterization techniques, molecular weight characterization (SEC , MALDI), thermal analysis (DSC and TGA), rheology, light scattering techniques Polymer technology- Polymer processing, fibers, elastomers, films, coatings, molding, extrusion, composites, adhesives, polymer nanomaterials and self-assembly, polymers for biomedical applications and conductive polymeric materials (Photoconductive and photonic polymers, electrically conductive polymers -doping concept). Other topics (including current important research advances) – dynamic polymer materials (includes self-healing polymers, recyclable polymers, vitrimers), dendrimers, sequence controlled polymers etc.

Reference Textbooks:

Advanced Reading:

Preparative Solid State Chemistry: hydrothermal techniques, highthroughput synthesis,high temperature ceramic techniques, sol-gel, chalcogel synthesis by metathesis route, pyrolysis, air sensitive synthesis; Characterization of Inorganic Solids. Crystal chemistry: Lattices, unit cells, symmetry, point groups, space groups, CCP, HCP, voids, radius ratio rules. Methods of crystallography: powder, single crystals, X-ray, neutron and electron diffraction. Descriptive Crystal Chemistry: metallic & nonmetallic structures, AB, AB2, AB3 (ReO3), spinels, pyrochlores, perovskites, K₂NiF⁴ etc.

Defects: Origin of defects in crystals, equilibrium, non-equilibrium, point, line, planar defects; Non Stoichiometry: evolution of point defects in non-stoichiometric solids, Wadsley defect,crystallographic shear, Magneli phases, defect perovskite oxides. Solid Solutions. Phase diagrams, Phase transitions: Classification, nucleation, growth models, martensitic transitions; Solid Electrolytes: Ionic Conductivity, Ionics, mixed conductor; Electronic Properties and Band Theory: Metals, Semiconductors, Inorganic Solids, Color. Electrical, magnetic and optical properties. Framework Solids: Zeolites, Aluminophosphates and related structures; Metal-organic framework compounds – their structures and properties.

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Reference:

Einstein’s theory of Brownian motion: Brown’s experiment, introduction to Einstein’s theory, the irregular movement of particles suspended in a liquid and its relation to diffusion, relation between diffusion and mobility, determination of Avogadro number, Perrin’s experimental verification of Einstein’s theory, Theoretical observations on Brownian motion and the existence of a random force.

Langevin description of Brownian motion: General expression of mean square displacement, relation between random and viscous force: the fluctuation-dissipation theorem, Langevin dynamics in a trapping potential.

Brownian motion in velocity space:Fokker-Planck equation, Calculation of M₁(v), Calculation of M₂(v).

Brownian motion in phase space (motion in a force field) and the application in reaction rate theory in solution phase: Kramers’ equation, Kramers equation as a generalization of Liouville equation and connection to equilibrium statistical mechanics, Kramers’ theory of activated processes, a simple connection to Transition State Theory.

Overdamped motion:Smoluchowski equation and diffusion over a barrier: Smoluchowski equation, diffusion of particles over the barrier.

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