CY 1001-Chemistry (3-0-0-3)
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 ( ), 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.
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.
Basic Concepts of Quantum Chemistry
Uncertainty principle; Motion of a quantum mechanical particle in one dimension; The Schr�dinger 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.
Transition metal chemistry
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..
Synthesis structure and reactivity of metal carbonyls; 16 and 18 electron rules ; Variety of ligands and hapticity; Type of reactions: Oxidative addition, Reductive elimination, Migratory insertion; Homogeneous catalysis, Hydrogenation, Hydroformylation, Monsanto process, Wacker process.
Aromatic, non-aromatic and anti-aromatic compounds. Aromatic nucleophilic substitution reactions.
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.
CY 3050 - Molecular Architecture and Evolution of Functions
Definition, types of intermolecular interactions and their energetics. Synthesis, structure and properties of supramolecular systems - Metal guided self-assembly of nitrogen based ligand systems, molecular knot with double helical Cu(I) complexes - Thermodynamics and kinetic stability of supramolecular systems and their applications. Molecular switches and wires. Fullerness as hosts or guests and as superconducting intercalation compounds and their applications. Inorganic light emitting materials and devices - synthesis, properties and their applications. Inorganic based nano-materials and their potential applications inareas such as catalysis, photovoltaics and medicine.
Architecture; methods of synthesis; functionalization at theperiphery; applications. Organics for photonics and electronics: Concept of molecular wires: Methods for the synthesis of molecular wires i.e oligo (phenylene vinylene)s, oligo( phenylene ethynylene)s, oligo (eneyne)s, oligo(thiophene vinylene), oligo (thiphene ethynylene) etc. and their applications. Concept of molecular switches: Switching Electron- transfer Processes by photon inputs, redox inputs, and acid-base inputs.
Tunelling, transmission probability, illustration of working principle of scanning probe microscopy, quantum dots. LCAO-MO theory, Hueckel theory, formation of bands, electrical properties, frees electron and tight binding approximations, chemical potentials & semiconductors, nano-wires and nano-tubes. Hartree Fock (HF) or self - consistent-field(SCF) and DFT calculations: overview of methods, applications & examples for large molecules and clusters Inter- and intra molecular interactions, stability of large clusters, molecular mechanics and molecular dynamics simulations on clusters and large molecules
CY 3060 - Structure and Energetics of Biomolecules
Structure of proteins - primary, secondary, tertiary, quaternary - in relation to function; Enzyme kinetics - Inhibition; Aloosterism; Mechanism of enzyme action - cooperativity; Potential in drug design.
Free energy and chemical potential; Entropy and molecular viewpoint of the energetics - analysis of energetics in metabolic cycles; The concept of electrical double layers - example from membranes. Molecular spectroscopic techniques: Electronic absorption and emission spectroscopy; Rotational and vibrational spectroscopy; Raman spectroscopy, Circular Dichroism.
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