CY1001 Chemistry - I

Course Details

Time-dependent and time-independent Sch?dinger wave equation, normalized and orthogonal wave functions, particle between parallel walls, average values, Heisenberg uncertainty principle, electron in a cubic box, box model for the hydrogen atom, box functions for H2+, free electron molecular orbital model. Interaction of radiation with matter, Absorption and emission of light, Einstein coefficients, factors governing line shapes of spectral lines, Beer-Lambert law, electronic transition.
Transition metal chemistry: Bonding in transition metal complexes: coordination compounds, crystal field theory, octahedral, tetrahedral and square planar complexes, crystal field stabilization energies, Jahn-Teller theorem, spectral and magnetic properties.
Organometallics: 16 & 18 electron rules, bonding in metal carbonyls, Zeiss? salt, oxidative addition, reductive elimination, migratory insertion and deinsertion reactions, examples of reaction types in catalysis cycles like homogeneous hydrogenation and hydroformylation reactions, Monsanto acetic acid synthesis.
Bio-inorganic: Trace elements in biology, heme and non-heme oxygen carriers, haemoglobin and myoglobin-cooperativity, Hill coefficient, oxy and deoxy haemoglobin, reversible binding of oxygen, Perutz model.
Solid state chemistry: X-ray and neutron diffraction, Bragg equation, Miller indices, conduction in solids, Arhenius equation and conductivity expressions; magnetic ordering, soft and hard magnets, B-H loop, spinels and inverse spinels, ferrites, rare earth transition metal compounds, dielectric, ferroelectric and piezo electric materials; basics and examples.
Aromaticity: Electron delocalization, resonance and aromaticity; molecular orbital description of aromaticity and anti-aromaticity, annulenes; ring current, NMR as a tool, diamagnetic anisotropy Aromatic electrophilic and nucleophilic substitutions, benzyne; reaction mechanisms, reactivity and orientation.
Pericyclic reactions : Definition, classification, electrocyclic, cycloaddition, sigmatropic reactions, electrocyclic reactions, examples of ring closing and ring opening reactions of butadiene and hexatriene only; Cycloaddition reactions: Diels Alder reaction; Woodward Hoffmann rules, FMO approach, stereochemical aspects and synthetic utility of the above reactions, sigmatropic rearrangement limited to Cope and Claisen rearrangements.

Course References:

1. Kuhn Hans, F?rsterling Horst-Dieter and Waldeck David H, Principles of Physical Chemistry, 2nd Ed., Wiley (2009). 2. Atkins P W and de Paula Julio, Physical Chemistry, Oxford University Press, 8th Ed., (Indian student Edition) (2009). 3. Silley Robert J, Alberty Robert A, Bawendi Moungi G., Physical Chemistry, (4th Ed.), Wiley (2006).