CHEMISTRY I and II for IIT-T and IIT-PKD

Chemistry I

Basic Concepts of Quantum Chemistry (12 classes)

The Schrodinger wave equation; Born interpretation; Uncertainty principle; Motion of a quantum mechanical
particle in one, two and three dimensions, degeneracy; Tunneling, Spectroscopic models - Rotational motion
(rigid rotor) and Vibrational motion (harmonic oscillator); The Schrodinger wave equation for the hydrogen
atom; physical meaning of a wave function, radial wave functions and probability densities, quantum numbers,
wave functions and orbital shapes, electron spin.

The Chemical Bond (4 classes)

Born-Oppenheimer approximation; LCAO-MO; H2+ molecule; Bonding and antibonding orbitals;
Electronic structure of homonuclear diatomic molecules, bond order, paramagnetism (B2 and O2 molecules) and
diamagnetism (C2, N2 and F2 molecules); Heteronuclear diatomic molecule (HF); Formation of bands in solids -
metals, semiconductors and insulators.

Molecular Spectroscopy (4 classes)

Rotational and vibrational spectroscopy of diatomic molecules; vibrational spectroscopy of polyatomic
molecules (normal modes of CO2 and H2O);
Electronic spectroscopy of molecules, Beer-Lambert law, different types of electronic transitions, UV spectra of
n-electron systems (conjugated C-chains in dyes and polyenes - shift of absorption maximum with chain length)

Chemical Thermodynamics: (7 classes)

Second Law of Thermodynamics - Entropy change accompanying various processes (isothermal expansion,
phase transition, heating, entropy of mixing of perfect gases); Absolute entropy and the Third Law of
Thermodynamics; Statistical entropy; Spontaneity of a chemical reaction and Gibbs energy; Standard Gibbs
energies of formation and reactions; Thermodynamic functions (A, G, U & H) and four fundamental equations,
Maxwell relationships; variation of G with T and P, Gibbs-Helmholtz equation, Chemical potential; G versus
extent of reaction (0), Equilibrium constant through chemical potential (gas equilibria), relation between Kp & Kc;
Phase equilibria, Gibbs phase rule, phase diagrams of water and carbon dioxide (supercritical H2O & CO2),
Clausius-Clapeyron equation; Liquid-solid phase diagrams - two-component eutectic systems and cooling
curves.

Chemical Kinetics : (5 Classes)

Parallel, opposing and consecutive reactions; Mechanism of complex chemical reactions; Analysing
mechanisms using the steady-state approximation, Chain reactions (hydrogen-bromine reaction); Unimolecular
reactions (Lindemann-Hinshelwood approach); Transition State Theory for bimolecular reactions
(thermodynamic approach); Enzyme catalysis (Michaelis-Menten Mechanism). Chemisorption and Langmuir
Isotherm.
Text Books:
1. Elements of Physical Chemistry by PW Atkins and J de Paula, 5 th Ed. 2009, Freeman.
2. Atkin's Physical Chemistry by PW Atkins and J de Paula, 8th and 9 th Eds., Oxford University Press.
3. Physical Chemistry: A Molecular Approach by Donald A. McQuarrie, John D. Simon, University Science
Books, 1997.
4. Principles of Physical Chemistry by Hans Kuhn, Horst-Dieter Forsterling and David H. Waldeck, Wiley,
2009.
5. Fundamental of Molecular Spectroscopy, C.N. Banwell and E.M. McCash, 4th edition, Tata McGraw- Hill,
1999.

CHEMISTRY II

Transition metal chemistry: (6 classes)

Bonding in transition metal complexes; coordination compounds; crystal field theory, octahedral, tetrahedral
and square planar complexes; CFSE; Jahn-Teller theorem; Spectral, electronic and magnetic properties of
coordination complexes.

Organometallic chemistry: (9 classes)

Synthesis structure, bonding and reactivity of metal carbonyls; 16 and 18 electron rules using neutral ligand and
oxidation number methods; Variety of ligands and hapticity; Type of reactions: oxidative addition, reductive
elimination, migratory insertion and deinsertion; Applications of catalysis in hydrogenation, hydroformylation,
Monsanto process and Wacker process.

Aromaticity: (5 classes)
Aromatic, non-aromatic and anti-aromatic compounds. Basic concepts of NMR spectroscopy; ring current and
diamagnetic anisotropy; applications.

Aromatic substitution reactions: (5 classes)

Aromatic electrophilic substitution, and aromatic nucleophilic substitution reactions.
Applications briefly: production of Ibuprofen and paracetamol. Application of Sangers reagent.
Pericyclic reactions: (7 classes)
Definition, classifications, electrocyclic reaction of butadiene and hexatriene, photochemical [2+2] and thermal
[4+2] cycloadditions, Sigmatropic rearrangements - limited to Cope and Claisen rearrangements, FMO
approach - Woodward Hoffmann rules and basic stereochemistry aspects of the above reactions.

Text Books:
1. Advanced Organic Chemistry, Part A by F. A. Cary and R. I. Sundberg, 5th Edition, Springer, 2009.
2. Organic Chemistry by Robert Thornton Morrison and Robert Neilson Boyd, 6 th Edition, Pearson
3. Organic Chemistry by Paula Yurkanis Bruice, 3rd Edition, Pearson.
4. Introduction to spectroscopy, Pavia, 4 th Edition, Science Publisher, 2015.
5. Organic Chemistry by J Clayden, N Greeves and S Warren, 2 nd Edition 2012, Oxford University Press.
6. Shriver and Atkin's Inorganic Chemistry by P Atkins, T Overton J Rourke, M Weller and F Armstrong,
4 th Edition 2009, Oxford University Press.
7. Inorganic Chemistry: Principles of Structure and Reactivity, J. E. Huheey, E. A. Keiter and R. L. Keiter,
Indian, Pearson Education, 2008.
 Advanced Inorganic Chemistry, F. A. Cotton, G. Wilkinson, C. A. Murillo and M Bochmann 6 th
ed.,1999, Wiley.
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9. Org etallic Chemistry, A Unified Approach, R. C. Mehrotra and A. Singh, 2006, New Age International,
Indian