integrated phd (chemical sciences) syllabus

8/11/2019 Integrated PhD (Chemical Sciences) Syllabus

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6/20/2014 Integrated PhD (Chemical Sciences)

http://www.iisc.ernet.in/course_content/soiiphdchsc.htm

Integrated PhD (Chemical Sciences)

Course Work

Core Courses

Course Credits Course Title

CD 203 3:0 Group Theory and Molecular Spectroscopy

CD 211 3:0 Physical Chemistry-I

CD 212 3:0 Inorganic Chemistry-I

CD 213 3:0 Organic Chemistry-I

CD 214 3:0 Basic Mathematics

CD 215 0:4 General Chemistry Lab.

(Organic & Inorganic)

CD 221 3:0 Physical Chemistry II:

Quantum Chemistry and

Statistical Mechanics

CD 222 3:0 Material Chemistry

CD 223 3:0 Organic SynthesisCD 224 2:1 Computers in Chemistry

CD 225 0:4 Physical and Analytical

Chemistry Lab.

CD 232 3:0 Electronics for Scientists

CD 301 3:0 TwoDimensional NMR

Spectroscopy

CD 311 3:0 Bioinorganic & Organo-

metallic Chemistry

Project

CD 241 0:10 Project

Research Project

Elective Courses: 15 credits (including two 300 level courses)

Note: Elective Courses are to be selected from the courses in the Division of Chemical Sciences. Students may also

select courses offered in other Divisions of the Institute in consultation with their supervisor or the coordinator of the

programme in the Division of Chemical Sciences.

CD 203/IP 203 (AUG) 3:0

Group Theory and Molecular Spectroscopy

Group theory: symmetry elements and operations, products of operations, point groups, matrices and

representations, reducible and irreducible character tables, great orthogonality theorem, direct product of irreducible

representation. Time dependent states and spectroscopy: time dependent perturbation theory, absorption and

emission of radiation, selection rules, line shapes and widths, lasers. Vibrations and rotations of diatomic molecules

nuclear motion in diatomics, anharmonicity, vibration-rotation interaction, potential energy functions, selection rules

rotational spectra, rovibrational spectra. Vibrations of polyatomic molecules. Classical mechanics of vibrations

symmetry and normal vibrations, IR and Raman spectroscopy techniques including resonance Raman. Electronic

spectroscopy: diatomic molecules, coupling of electronic and rotational angular momentum, analysis of vibronic and

rovibronic spectra, electronic spectra of polyatomic molecules, molecular orbitals and electronic states, electronic

and vibronic selection rules, multi-photon spectroscopy. Magnetic resonance: NMR and ESR spectroscopy

Experimental methods and applications. Structure determination, 2D NMR, NMR of solids.


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S Umapathy and E Arunan

Levine, I., Molecular Spectroscopy, A Wiley Interscience Publications

Hollas, J.M., Molecular Spectroscopy, A Wiley Interscience Publications

CD 211(AUG) 3:0

Physical Chemistry I: Thermodynamics, Kinetics and Electrochemistry

Intermolecular forces: van der Waals interactions, Lennard-Jones potentials, Stockmayer potential, hydrogenbonding. Thermodynamics: the three laws, free energies and chemical potentials, applications to electrochemistry

thermodynamic properties of liquids and solids, changes of phase. Chemical reaction dynamics: rate processes in

chemistry, activated complex theory, photochemical reactions, chain reactions oscillatory reactions, catalysis.

N Munichandraiah and P K Das

Mcquarrie, D.A., and Simon, J.D., Physical Chemistry: A Molecular Approach, Viva Books, New Delhi, 1998.

CD 212 (AUG) 3:0

Inorganic Chemistry -I

VSEPR and molecular structure, understanding periodic properties. Main group chemistry: hydrogen and itscompounds, the boron and the carbon groups, the nitrogen and the oxygen groups, the halogens and noble gases

Coordination chemistry: bonding theories, magnetic and electronic spectral properties. Inorganic reactions and

mechanisms: hydrolysis reactions, trans-effect, isomerisation reactions, redox reactions, and mixed-valence

systems. Chemistry of lanthanides and actinides.

B R Jagirdar and P Thilagar

Shriver, D.F., Atkins, P.W., and Langford, C.H., Inorganic Chemistry, Freeman, NY, 1990.

Cotton, F.A., and Wilkinson, G., Advanced Inorganic Chemistry, Fifth Edn, John Wiley, NY, 1987.

Huheey, J.E., Inorganic Chemistry: Principles of Structure and Reactivity, Harper Intl, Third Edn, 1983.

CD 213(AUG) 3:0Organic Chemistry I

Important electronic effects in organic compounds, aromaticity, frontier orbital theory, steric effects, stereochemistry

conformational analysis. Methods of deducing organic reaction mechanisms, Hammond postulate, Curtin-Hammet

principle, linear free energy relationship, Hammett and Taft equations. Organic transformations and molecula

rearrangements. Reactive intermediates, classical and non-classical carbocations, carbanions, free radicals

carbenes, nitrenes, arynes, radical ions, diradicals, concerted reaction, Woodword-Hoffmann rules.

Uday Maitra and Sosale Chandrasekhar

March, J., Advanced Organic Chemistry, Third Edn, Wiley, 1985.

Carey, F.A., and Sundberg, R.J., Advanced Organic Chemistry, Part A, Second Edn, Plenum, 1984Lawry, T.M., and Richardson, K.S., Mechanism and Theory in Organic Chemistry, Third Edn. Harper & Row, 1986.

CD 214(AUG) 3:0

Basic Mathematics

Differentiation and integration, different methods of evaluating integrals, multi-dimensional integrals, numerica

integration. Vectors gradient, divergence and curl, and their physical significance. Matrices eigenvalues and

eigenvectors. Complex variables, Cauchy-Reimann conditions, Cauchys theorem, Cauchys integral formula

Differential equations, differential equations of quantum chemistry and chemical kinetics, numerical solutions o

differential equations. The Dirac delta function, the gamma and error function. Function spaces, orthonorma

functions, Fourier series, Fourier and Laplace transforms, fast Fourier transforms.


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N Suryaprakash and H S Atreya

Thomas, G.B., and Finney, R.L., Calculus and Analytical Geometry, Narosa Publishing, 1984.

Arfken, G.B., and Weber, H.J., Mathematical Methods for Physicis ts, Prism Indian Edn, 1995.

Keryszig, E., Advanced Engineering Mathematics, Wiley Eastern Limited, 1983.

CD 215(AUG) 0:4

Organic & Inorganic Chemistry Laboratory

Common organic transformations such as esterification, Diels-Alder reaction, oxidation-reduction, Grignard reaction

etc. Isolation and purification of products by chromatographic techniques, characterization of purified products by IR

and NMR spectroscopy. Synthesis of coordination complexes, preparation of compounds of main group elements

synthesis of organometallic complexes. Physico-chemical characterization of these compounds by analytical and

spectroscopic techniques.

N Jayaraman and P S Mukherjee

Vogels Qualitative Inorganic Analysis

CD 221(JAN) 3:0

Physical Chemistry II: Quantum Chemistry and Statistical Mechanics

Quantum mechanics:postulates, measurements, operators, exactly solvable problems particle on a ring, sphere

rigid rotor, harmonic oscillator, hydrogenic atom, approximate methods. Electron, atoms and molecules: independen

particle approximation, central field problem, approximate methods for molecules, Huckel model, CNDO and sem

empirical methods, role of electron correlations. Statistical mechanics: ensembles, partition functions, averages

distributions, application to rotational and vibrational problems, specific heats of solids, phase transitions. Dynamics

kinetics and relaxation, diffusion equation, non-equilibrium thermodynamics light scattering. Simulations

configuration averages, central limit theorem, metropolis method, molecular dynamics, simulations of differen

ensembles.

Aninda Bhattacharya

Schiff, L.I., Quantum Mechanics, Third Edn, McGraw Hill, 1987.

Callen, H.B., Thermodynamics and Introduction to Thermostatist ics, Second Edn, John Wiley, 1985.

CD 222(JAN) 3:0

Material Chemistry

Structure of solids, dymmetry concepts, crystal structure. Preparative methods and characterization of inorganic

solids. crystal defects and non stoichometry. Interpretation of phase diagrams, phase transitions. Kinetics of phase

transformations, structure property correlations in ceramics, glasses, polymers. Composites and nano-materials

Basics of magnetic, electrical, optical, thermal and mechanical properties of solids.

Srinivasa Raghavan, K K Nanda and N Ravishankar

West, A.R., Solid State Chemistry and its applications,,John Wiley and Sons, 1984.Shackelford, J.F., Introduction to Materials Science for Engineers, MacMillan, 1988.

CD 223(JAN) 3:0

Organic synthesis

Principles of selectivity and reactivity in the use of reagents for oxidation, reduction and bond forming reaction

Planning a synthesis, antithetic analysis, synthons, linear and convergent synthesis.


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S Chandrasekaran and N Jayaraman

Warren, S., Designing Organic Synthesis, John Wiley and Sons, 1978.

Carruthers, W.S., Some Modern Methods of Organic Synthesis, Third Edn, Cambridge Univ. Press, 1986.

Carery, F.A., and Sundberg, R.J., Advanced Organic Chemistry, Part B, Second Edn, Plenum, 1984.

House, H.O., Modern Synthetic Reactions, Benjamin Cummings, 1972.

Fuhrhop, J., and Penzilin, G., Organic Synthesis Concepts, Methods, Starting Materials, Verlog Chemie, 1983.

CD 224(JAN) 2:1

Computers in Chemistry

Number systems: binary, octal, decimal, hexadecimal. Computer architecture, machine language, assembly

language programming, algorithms, Fortran 90 and HPF with programming examples from chemistry and other areas

Visualisation. Numerical methods: interpolation, curve fitting, integration, linear algebraic systems, ordinary

differential equations and matrix eigenvalue problems. Parallelisation.

S Yashonath and A G Samuelson

Rajaraman, V., Computer Programming in FORTRAN 90 and 95

Rajaraman, V., and Siva Ram Murthy, C., Parallel Computers Architecture and Programming.

Chapra, S.C., and Canal, R.P., Numerical Methods for Engineers,

Lewars, E.G., Computational Chemistry: Introduction to the Theory and Applications of Molecular QuantumMechanics

CD 225(JAN) 0: 4

Physical and Analytical Chemistry Laboratory

Chemical kinetics; Langmuir adsorption, chemical analysis by potentiometric and conductometric methods, cyclic

voltametry, flame photometry, electronic states by UV-Visible spectroscopy, IR spectroscopy, solid state chemistry

synthesis of solids and chemical analysis, thermogravimetry, X-ray diffraction; electrical and magnetic properties o

solids. Vacuum techniques in preparative chemistry.

M S Hegde and C Shivakumar

Vogel, A.I., Vogels text book of quantitative chemical analysis, Longman, 1989.

Shoemaker, D.R., Garland, C.W., and Nibler, J.W., Experiments in Physical Chemistry, McGraw Hill Intl Edn, 1989.

CD 232(AUG) 0:4

Electronics for Chemical Scientists

Working principle of transistors and diodes. Design of transistor based amplifiers and power supplies. Using

operational amplifiers in designing of temperature controllers, temperature indicators, lock-in amplifiers, pH meters

conductivity meters, battery chargers, power supplies, etc. Basic concepts of digital circuits, designing of display

circuits, counters etc. Working principle of microprocessors, A/D and D/A converters.

M K Gunasekaran and V Jayaram

Horowiz, P., and Hill, W., The Art of Electronics, Second Edn, Cambridge Univ. Press, 1992.

Gaonkar, Microprocessor Architecture Programming and Applications, Wiley Eastern Limited, 1992.

CD 241(JAN) 0:10

Research Project

Faculty


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CD 301(JAN) 3:0

Two-dimensional NMR Spectroscopy

Basic principles of two-dimensional (2D) NMR spectroscopy, 2D line shapes phases and filtering. Resolved 2D

spectroscopy Correlated 2D experiments (COSY, TOCSY, etc.) involving homo-nuclear and heteronuclea

correlations. 2D multiple-quantum spectroscopy 2D relaxation experiments (NOESY, ROESY). Multinuclear 2D and

3D experiments such as HSQC, HMQC, HNCA and HNCA (CO) etc. Introduction to coherence level diagram, produc

operator formalism, phase cycling and gradient-enhanced spectroscopy. Two-dimensional NMR of solids. NMR

imaging. Applications of two and three-dimensional NMR experiments for structure determination of large molecules.

N Suryaprakash, S Raghothama and H S Atreya

Croasmun, W.R., and Carlson, R.M.K., Two-Dimensional NMR Spectroscopy Applications for Chemists and

Biochemists, VCH, 1987.

Martin, G.E., and Zektzer, A.S., Two-dimensional NMR Methods for establishing Molecular Connectivity: A chemists

Guide to experiment selection, performance and interpretation, VCH, 1988.

CD 311/IP 311 (AUG) 3:0

Bioinorganic & Organometallic Chemistry

Principles of coordination chemistry related to bioinorganic chemistry; properties of biological molecules; structura

and functional aspects of metalloproteins; photosynthesis; alkali and alkaline earth metals in biological systems

medicinal aspects of bioorganic chemistry. Structure and bonding in organometallic compounds; isolobal analogies

metal carbonyls, metallocenes. Major reaction types; oxidative addition, reductive elimination, insertion, isomerization

and rearrangement reactions. Catalytic reactions.

G Mugesh and A G Samuelson

Lippard, S.J., and Berg, J.M., Principles of Bioorganic Chemistry, University Science Books, California, 1994.

Elschenbroich, Ch. and Salzer, A., Organometallics, Second Edn, VCH, Weinheim, 1992.

Crabtree, R.H, The Organometallic Chemistry of the Transition Metals, Second Edn, John Wiley.

Albright, T.A., Burdett, J.K., and Whangoo, M.-H., Orbital Interactions in Chemistry, John Wiley, New York 1985.

Collman, J.R., and Hegedus, L.S.L., Principles and Applications of Organotransition Metal Chemistry, University

Science Books, California, 1987.

integrated phd (chemical sciences) syllabus

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