ABOUT THE COURSE:This course offers a comprehensive overview of Molecular spectroscopy, focusing on the principles, instrumentation, and applications of Microwave, IR, Raman, UV-Vis absorption, Photoelectron, NMR, and ESR spectroscopic techniques. It is designed to help students interpret molecular spectra for structural elucidation and analytical purposes. The course combines theoretical foundations with practical insights, including case studies relevant to chemistry, materials science, and pharmaceuticals. It is ideal for undergraduate and postgraduate and PhD course work students in chemical and allied sciences.INTENDED AUDIENCE:UG (3rd and 4th year), PG students and PhD coursework studentsPREREQUISITES: B.Sc. 4th semester passed.INDUSTRY SUPPORT:The course "Molecular Spectroscopy" is highly relevant for sectors involved in materials characterization, pharmaceuticals, nanotechnology, chemical manufacturing, and analytical instrumentation. Industries and organizations that would recognize and value this course include:CSIR labs, Reliance R& D, Mumbai; Bharat Petroleum Corporation Ltd (BPCL); CSIR – Central Drug Research Institute (CDRI), Lucknow; Dr. Reddy’s Laboratories; Lupin Limited; Sun Pharmaceutical Industries Ltd.; Indian Oil Corporation Ltd. (R&D Division); Bhabha Atomic Research Centre (BARC); National Physical Laboratory (NPL), New Delhi; Agilent Technologies; Bruker India Scientific Pvt. Ltd.; Thermo Fisher Scientific; Shimadzu Analytical India Pvt. Ltd.; These organizations actively employ various molecular spectroscopy techniques (such as IR, Raman, NMR, and XPS) for research, quality control, product development, and material analysis, making this course beneficial for upskilling potential employees and trainees.

Syllabus

Week 1- Introduction to molecular spectroscopy (light, light-matter interaction, absorption and emission, S/N ratio, resolving power, factors controlling spectral line width and intensity, Fourier transformation)

Week 2- Rotational Spectroscopy (rigid, nonrigiddi and triatomic linear molecules, symmetric top molecule, applications)

Week 3- Infrared spectroscopy (di- and polyatomic molecules, normal modes and their symmetry (H2O, CO2 and C6H6)

Week 4- Infrared spectroscopy (skeletal vibration and group frequency, ATR, FT-IR instrumentation numerical problems)

Week 5- Raman Spectroscopy (Scattering processes Raman Effect, rotational and rotation-vibrational Raman transitions, numericals, temperature estimation, instrumentation, IR-Raman comparison).

Week 6- Basics of Electronic Spectroscopy-Transition moment integral, molecular orbital theory, MO diagram of molecules, Molecular Term symbol, Vibrational coarse structure, Franck-Condon Principle, Rotational fine structure, Fortrat diagram.

Week 7- Electronic spectroscopy II -Predissociation, Transitions in H2 molecule, Instrumentation of UV-vis spectrophotometer, UV-vis absorption in polyatomic molecules

Week 8- Fundamentals of Photoelectron Spectroscopy -Basics, instrumentation, spectral features in UPS and XPS

Week 9- Photoelectron Spectroscopy II-UPS and XPS of gas phase molecules, Aspects of XPS data calibration and processing, Applications of XPS for qualitative and semi-quantitative analysis.

Week 10 - Magnetic resonance spectroscopy-brief introduction of electron and nuclear spin, nuclear magnetic moments, Larmor precession, intensity of an NMR signal. electronic shielding and chemical shifts reference standards and solvents).

Week 11- NMR Spectroscopy (spin-spin coupling, first-order energies and spectra).

Week 12- ESR Spectroscopy -theory, ESR of hydrogen, first order hyperfine energies, ESR of organic radicals in solution.