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
Synthesis
CD 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 Two–Dimensional
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.
S Umapathy and
Levine,
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 Waal’s
interactions, Lennard-Jones potentials, Stockmayer potential, hydrogen bonding. 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.
Mcquarrie, D.A., and Simon, J.D., Physical Chemistry: A
Molecular Approach, Viva Books,
CD 212 (AUG) 3:0
Inorganic Chemistry -I
VSEPR and molecular structure, understanding periodic
properties.
Main group chemistry: hydrogen and its compounds, 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,
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) 3:0
Organic Chemistry I
Important electronic effects in organic compounds, aromaticity, frontier orbital theory, steric
effects, stereochemistry, conformational analysis. Methods of deducing organic reaction
mechanisms,
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, 1984
Lawry, T.M., and
CD 214 (AUG) 3:0
Basic Mathematics
Differentiation and integration, different methods of
evaluating integrals, multi-dimensional integrals, numerical integration. Vectors – gradient, divergence and
curl, and their physical significance. Matrices – eigenvalues
and eigenvectors. Complex variables, Cauchy-Reimann conditions, Cauchy’s theorem, Cauchy’s integral
formula. Differential equations, differential
equations of quantum chemistry and chemical kinetics, numerical solutions of
differential equations. The Dirac delta function, the gamma and error
function. Function spaces, orthonormal functions,
Fourier series, Fourier and Laplace transforms, fast Fourier transforms.
N Suryaprakash and H
Thomas, G.B., and Finney, R.L., Calculus and Analytical Geometry, Narosa Publishing, 1984.
Arfken, G.B., and Weber, H.J., Mathematical Methods for
Physicists, 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
Vogel’s 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: independent particle approximation,
central field problem, approximate methods for molecules, Huckel model, CNDO and semi-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 different ensembles.
Aninda Bhattacharya
Schiff, L.I., Quantum Mechanics, Third Edn, McGraw Hill, 1987.
Callen, H.B., Thermodynamics
and Introduction to Thermostatistics, 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
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.
S Chandrasekaran and
Warren, S., Designing Organic Synthesis, John Wiley and Sons, 1978.
Carruthers, W.S., Some Modern Methods of Organic Synthesis,
Third Edn,
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.
Rajaraman, V., Computer
Programming in FORTRAN 90 and 95
Rajaraman,
V., and Siva Ram Murthy, C., Parallel Computers – Architecture and Programming.
Lewars, E.G., Computational
Chemistry: Introduction to the Theory and Applications of Molecular Quantum
Mechanics
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 of solids. Vacuum techniques in preparative chemistry.
M
Vogel, A.I., Vogel’s 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,
Gaonkar, Microprocessor
Architecture Programming and Applications, Wiley Eastern Limited, 1992.
CD 241 (JAN) 0:10
Research Project
Faculty
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 heteronuclear
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, product 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
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; structural 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,
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,
Collman, J.R., and Hegedus, L.S.L., Principles and Applications of Organotransition Metal Chemistry, University Science Books,