Concepts of chemistry for engineering

Por: Swayam . en: , ,

Week-1: Schrodinger equation; Particle in 1D box: Solutions and applications for conjugated molecules and nanoparticles; H-atom wave functions: plots and spatial variations; Molecular orbitals of diatomic molecules and plots of multicenter orbitals
Week-2: Equations for atomic and molecular orbitals; Energy level diagrams of diatomic molecules ; π-molecular orbitals of butadiene, benzene, and aromaticity
Week-3: Effective nuclear charge; penetration of orbitals; variations of s, p, d, and f orbital energies, electron affinity and electron negativity; Polarizability, oxidation states, coordination numbers, and geometries; hard soft acids and bases; Molecular geometries Week-4: Chemical bonding and molecular symmetry; Crystal field theory Week-5: Ligand field theory; Energy diagrams of transition metal ions and their magnetic properties; Band structures of solids and the role of doping on band structures Week-6: Principles of spectroscopy and selection rules; Vibrational and rotational spectroscopy for diatomic molecules & Applications
Week-7: Fluorescence Spectroscopy and its application in medicine; Electronic Spectroscopy Week-8: Nuclear magnetic resonance and magnetic resonance imaging; Surface characterization techniques Week-9: Ionic, polar, van Dar Waals interactions, Equation of state for real gases and critical phenomena; Potential energy surfaces of H3, H2F, HCN molecules and trajectories on surfaces
Week-10: Thermodynamic functions: Energy, entropy, and free energy; Estimations of entropy and free energies; Free energy and EMF; Cell potentials; Nernst equation and applications; Acid base, Oxidation reduction, and solubility equilibria; Use of free energy considerations in metallurgy through Ellingham diagrams
Week-11: Representations of three-dimensional structures; Structural isomers and stereoisomers; configuration and symmetry and chirality; enantiomers and diastereomers; Optical activity; absolute configurations and conformational analysis; Isomerism in transitional metal compounds
Week-12: Introduction to reactions involving substitution, addition, elimination, oxidation, reduction; Cyclization and ring openings; Synthesis of a commonly used drug molecule