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School of Chemical Sciences (SCS) Course Structure for 2 Years Master’S Program

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School of Chemical Sciences (SCS) Course Structure for 2 Years Master’S Program Annexure-I INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE Master’s/Integrated Master’s PhD Program in School of Chemical Sciences (SCS) Course Structure for 2 years Master’s Program Notes: 1. “L+T” means 3 hours of lecture are followed by 1 hour of tutorial 2. “P” means practical 3. For every course, course credits are equal to the number of contact hours per week Course Name Course Title L-T-P Semester I/V Core 1 Quantum Mechanics 4-0-0 CHS 4101/3111 Core 2 Inorganic Chemistry: Structure and 4-0-0 CHS 4102/3112 Reactivity Core 3 Organic Chemistry: Structure, Dynamics and 4-0-0 CHS 4103/3113 Reactivity Core 4/DSE* Mathematics for Chemists 4-0-0 CHS 4104/3114 AEC 4101 Communicative English 2-0-0 CHS 4105/3115 Laboratory 0-0-12 Semester II/VI Core 5 Thermodynamics and Statistical Mechanics 4-0-0 CHS 4201/3211 Core 6 Chemistry of the Elements 4-0-0 CHS 4202/3212 Core 7 Organic Chemistry: Reagents and Synthetic 4-0-0 CHS 4203/3213 Methods Core 8/DSE* Group Theory and Molecular Spectroscopy 4-0-0 CHS 4204/3214 SEC 4201 Seminar and Colloquium 2-0-0 CHS 4205/3215 Laboratory 0-0-12 Semester III/VII Core 9 Spectroscopic Techniques for Structure 4-0-0 CHS 5101/4111 Elucidation CHS 5102/4112 DSE 1 4-0-0 CHS 5103/4113 DSE 2 4-0-0 GE 1 4-0-0 AEC 5101 Scientific Writing and Ethics 2-0-0 CHS 5105/4115 Project 0-0-16 Semester IV/VIII Core 10 Advanced Spectroscopic, Microscopic and 4-0-0 CHS 5201/4211 Diffraction Techniques CHS 5202/4212 DSE 3 4-0-0 CHS 5203/4213 DSE 4 4-0-0 GE 2 4-0-0 SEC 5201 Seminar/Colloquium 2-0-0 CHS 5205/4215 Project 0-0-16 Annexure-I : Page-1 *Core courses for 2 years Masters students but are Discipline Specific Elective (DSE) for the Integrated Bachelor’s –Master’s students. Generic Electives (GE) to be opted from the courses offered by other schools. List of DSEs to be offered from SCS1 DSE 1: I. Chemical Kinetics and Electrochemistry II. Electronic and Magnetic Properties of Inorganic Compounds III. Strategies in Organic Synthesis IV. Advanced Molecular Spectroscopy DSE 2: I. Time Dependent Quantum Mechanics and Chemical Dynamics II. Bonds to Bands III. Asymmetric Catalysis and Synthesis DSE 3: I. Macrocyclic and Supramolecular Chemistry II. Mechanism and Catalysis III. Biosynthesis of Secondary Metabolites IV. Colloids, Interface and Macromolecules DSE 4: I. Advanced Quantum Mechanics II. Equilibrium and Non-equilibrium Statistical Mechanics III. Advanced Bioinorganic Chemistry IV. Crystal Engineering 1 subject to availability of instructors Annexure-I : Page-2 DETAILED COURSE CONTENTS FIRST YEAR: SEMESTER I/V CHS 4101/3111: Quantum Mechanics Sequence of events/phenomena which establish that (i) both radiation and matter have wave-particle duality and (ii) physical variables can be discrete/quantized. Elementary classical mechanics, using linear harmonic oscillator (LHO) as an example. Trajectories in configuration space and phase space. Lagrange‟s and Hamilton‟s equations of motion. Poisson‟s bracket. Classical wave equation. Plane- wave solutions. De Broglie matter waves. Operators. Linear Operators. The eigenvalue problem; occurrence of quantization, bounded and unbounded systems, discrete and continuous eigenvalue spectra. Commutation relations, commuting and non-commuting operators, eigenfunctions. Probability distribution (weighting function) and expectation value. Operations of observation and their properties; parallelism with commuting/non-commuting eigenoperators. “Small” and “large” systems; origin of uncertainty and connection to commutation relations. Postulates of quantum mechanics and their interpretations. Schrödinger equation and various interpretations of equation, energy spectrum, wave functions (Hilbert space), operators and Dirac notation (vectorial analogy). Hermitian operators. Acceptability conditions restricting energy values. Proof of Uncertainty Principle. Parity of eigenfunctions. Ehrenfest theorem. Heisenberg equation of motion. Applications to one-, two- and three-dimensional systems, degeneracy, Jahn-Teller effect. LHO (in terms of ladder/creation-annihilation operators), rigid rotor (including electron in a ring), hydrogen atom (ladder operators). One-dimensional periodic potential; Bloch theorem, band structure. Angular momentum in quantum mechanics in terms of ladder operators. Electron spin; Pauli spin matrices. Spin and magnetic field. Exchange; Slater determinant. Spin-orbit coupling. Spectral term symbols. Approximate methods: Time-independent and time-dependent perturbation theories; their applications. The variation principle for ground and excited states. Suggested Books: 1. I. N. Levine, Quantum Chemistry, Prentice-Hall-India. 2. D.W. McQuarrie, Quantum Chemistry, Oxford University Press. 3. P.W. Atkins, Molecular Quantum Mechanics, Oxford University Press. 4. A. Szabo and N. S. Ostlund, Modern Quantum Chemistry, Dover. 5. F. L. Pilar, Elementary Quantum Chemistry, McGraw-Hill (1968). 6. R. McWeeny and B.T. Sutcliffe, Methods of Molecular Quantum Mechanics, Academic Press. 10 7. P. W. Atkins, Quanta: A Handbook of Concepts, Oxford University Press. 8. G. C. Schatz and M.A. Ratner, Quantum Mechanics in Chemistry, Prentice Hall. 9. F. Schwabl, Quantum Mechanics, Narosa Publishing House 10. L. D. Landau and E. M. Lifshitz, Quantum Mechanics, Butterworth-Heinemann. Annexure-I : Page-3 CHS 4102/3112: Inorganic Chemistry: Structure and Reactivity Structure and Reactivity of Inorganic Molecules: Chemical forces, bonding models in inorganic chemistry; molecular orbital theory; acid-base chemistry; chemistry of aqueous and non-aqueous solvents; redox chemistry. Basic Principles of Coordination Chemistry: Coordination number and ligand polytopes; isomerism in coordination complexes; transition metal complexes involving redox-non-innocent ligands-formal and spectroscopic oxidation states. Kinetics and Mechanism in Coordination Chemistry Kinetics of substitution reaction in square planar complexes, Trans Effect, Kinetics of substitution reaction in octahedral complexes, Racemization and isomerization, Kinetics of electron transfer reaction. Bioinorganic Chemistry: Essential elements in biological systems; abundance, availability and bioavailability of the elements; role of metal ions in basic chemical reactions in the biological systems; metal ion transport across membrane; uptake, transport and storage of iron, biomineralization; dioxygen Carriers: Hb, Mb, Hc, Hr; electron transfer proteins (basic); hydrolytic enzymes; metals in medicine. Suggested Books: 1. J. E. Huheey, E. A. Keiter, R. L. Keiter, Inorganic Chemistry: Principles of Structure and Reactivity (4th Edition), Publisher: Benjamin Cummings. 2. Douglas, McDaniel and Alexander, Concepts and Models of Inorganic Chemistry, 3rd Ed, Wiley, New York, 1994. 3. G. Wulfsberg, Inorganic Chemistry, University Science Books, USA. 4. A. von Zelewsky, Stereochemistry of Coordination Compounds, J. Wiley & Sons, 1996. 5. R. S. Drago, Physical methods in Chemistry, W. B. Saunders Company. 6. A. Earnshaw, Introduction to Magnetochemistry, Academic Press. London, 1968 7. S. J. Lippard, J. M. Berg, Principles of Bioinorganic Chemistry, University science Books, CA, 1994. 8. D. Katakis and G. Gordon, Mechanisms of Inorganic Reactions, Wiley, New York, 1987. CHS 4103/3113: Organic Chemistry: Structure, Dynamics and Reactivity Conformational analysis of acyclic and cyclic structures, conformational effect on reactivity; Baldwin‟s rule and Thorpe ingold effect, Stereoelectronic Effects (Cram's rule, Felkin-Anh Model, Cieplak Model), different aspects of chirality. Frontier orbitals in organic reactions; orbital symmetry and pericyclic reactions; control of stereochemistry and secondary orbital interactions; Reactive intermediates; carbenes and nitrenes; introduction of free radical chemistry; SET pathways. Annexure-I : Page-4 Introduction to reaction mechanism; physical methods of determination of reaction mechanism; kinetic vs thermodynamic control, kinetic isotope effect, Curtin–Hammett principle. Organic photochemistry; Principles and reactions - photolytic cleavage, photoreduction, photooxidation, photoaddition, photorearrangement. Suggested Books: 1. Advanced Organic Chemistry, 5th ed. Part A: Structure and Mechanisms – F.A. Carey and R. J. Sundberg, Springer, 2007. 2. Stereochemistry of Organic Compounds – E. L. Eliel and S. H. Wilen, John Wiley, 1994. 3. Modern Molecular Photochemistry of Organic Molecules – N. J. Turro, V. Ramamurthy and J. C. Scaiano, University Science Books, 2010. 4. Free Radicals in Organic Chemistry - Jacques Fossey, Daniel Lefort and Janine Sorba, Wiley, 1995. 5. Advanced Free Radical Reactions for Organic Synthesis – H. Togo, Elsevier, 2004. 6. Reactive Intermediates in Organic Chemistry – N. S. Isaacs, John Wiley, 1975. 7. Stereoelectronic Effects by A. J. Kirb CHS 4104/3114: Mathematics for Chemists Function: functions, limits, continuity, Integral and differential calculus of one and two variables, Mean Value Theorems, Improper Integrals, Convergence of Integrals. Infinite series and sequences: convergence and divergence of infinite series, Tests of convergence, alternate series, Taylor series and application, Asymptotic expansion and application, Fourier sine and cosine series and applications, Functions defined as integrals: Gamma, Beta and error functions, exponetial integrals, elliptic integrals, Dirac delta functions Linear algebra and Vector spaces: Matrices, Rank of a Matrix, Complex Inner Product Spaces, Orthogonal and Unitary Transformations, Eigenvalues and Eigenvectors and
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