Chemistry

Semester credits 04

Unit–I:

Atomic and molecular structure
Schrodinger equations, Schrodinger equation. Particle in a box solutions and their applications for conjugated molecules and nanoparticles, Molecular orbitals of diatomic molecules and plots of the multicentre orbitals. Equations for atomic and molecular orbitals. Energy level diagrams of diatomics. Pi- molecular orbitals of butadiene and benzene and aromaticity. Crystal field theory and the energy level diagrams for transition metal ions and their magnetic properties. Band structure of solids and the role of doping on band structures.

Unit–II:

Spectroscopic techniques and applications

Principles of spectroscopy and selection rules. Electronic spectroscopy. Fluorescence and its applications in medicine. Vibrational and rotational spectroscopy of diatomic molecules. Applications of Nuclear magnetic resonance and magnetic resonance imaging, Diffraction and scattering.

Unit–III:

Periodic properties
Effective nuclear charge, penetration of orbitals, variations of s, p, d and f orbital energies of atoms in the periodic table, electronic configurations, atomic and ionic sizes, ionization energies, electron affinity and electronegativity, polarizability, oxidation states, coordination numbers and geometries, hard soft acids and bases,

Unit–IV:

Intermolecular forces and potential energy surfaces.
Ionic, dipolar and van Der Waals interactions. Equations of state of real gases and critical Phenomenon . Potential energy surfaces of H3, H2F and HCN.
Use of free energy in chemical equilibria
Thermodynamic functions: definitions - energy, entropy and free energy. Estimations of entropy and free energies. Free energy and e.m.f. Cell potentials, the Nernst equation and applications.

Unit–V:

Stereochemistry.
Isomerism, structural isomers and stereoisomers, configurations and symmetry and chirality, enantiomers,
diastereomers, optical activity, absolute configurations ( R and S Configuration with Ex.) and conformational analysis.(Staggered and eclipsed Conformation of Ethane)
Organic reactions and synthesis of a drug molecule
Introduction to reactions involving substitution, addition, elimination, oxidation, reduction, Synthesis of a commonly used drug molecule.( Aspirin and Paracetamol)

Text Books
1.Tembe, Kamaluddin and Krishnan,,Engineering Chemistry, (NPTEL Web-book)
Reference Books:
1. B. H. Mahan University chemistry, Pearsons Publication, 4th edition
2. M. J. Sienko and R. A. Plane, Chemistry: Principles and Applications,
3. C. N. Banwell, Fundamentals of Molecular Spectroscopy,Mcgraw Higher Ed., 4th edition.
4. P. W. Atkins, Physical Chemistry, Oxford University Press, 7th edition.
5. J. D. Lee Concise Inorganic Chemistry ,Oxford University Press, 5 th edition
6. Puri,Sharma, Kalia, Principles of Inorganic Chemistry