Course

Unit III

Rotational and Vibrational Spectroscopy Introduction to spectroscopy, rotation spectra – diatomic and polyatomic molecules, selection rules, intensities of spectral lines, stark effect, instrumentation of micro wave spectroscopy, applications and structural determinations, vibration spectra of diatomic molecules, harmonic and anharmonic vibrations, diatomic vibrating rotor, selection rule, breakdown of Born Oppenheimer approximation, rotational character of vibration spectra, different modes of vibrations, vibration-rotation spectra, Fermi resonance, vibration spectra of polyatomic molecules, IR spectra of organic and inorganic compounds, phase, temperature and solvent dependence, FTIR technique, instrumentation,

Unit IV

Raman Spectroscopy Classical and quantum mechanical theories on Raman scattering. Origin of rotational and vibrational Raman spectra. Instrumentation. Comparison between IR and Raman spectra – application of group theory – rule of mutual exclusion. Non-linear Raman spectroscopic techniques – stimulated, hyper, inverse and CARS. Resonance and surface enhanced Raman techniques. Applications of Raman spectroscopy in chemistry and biology.

Unit V

: Electronic Spectroscopy Electronic spectra of atoms – single and multi electron systems, j-j and L-S coupling. Electronic spectra of diatomic and polyatomic molecules – vibrational fine structure, Frank-Condon principle. Selection rules. Application of group theory in electronic spectra. Theory of fluorescence spectroscopy quantum yield, lifetime.

Spin Resonance Spectroscopy Nuclear Magnetic Resonance – Classical and quantum mechanical approach – nuclear spin, magnetic moment, nuclear magnetic resonance, chemical shift, spin-spin coupling, relaxation processes. Dynamic NMR spectroscopy. Multiple resonance techniques. 2D and solid state NMR. Instrumentation of NMR sampling. Spectra involving 1H, 13C, 19F and 31P nuclei. Electron Spin Resonance – Theory – electron spin, magnetic moment, electron spin resonance, hyperfine structure, line width and anisotropy. Dynamic ESR. Triplet state in ESR. Double resonance techniques. Instrumentation. ESR spectra of organic and inorganic compounds. Nuclear Quadrupolar Resonance – Theory – Nuclear quadrupolar moment, electric field gradient, the asymmetry parameter, nuclear quadrupolar transitions involving axially symmetric and axially non-symmetric molecules. Applications of NQR to analyze chemical bonding, molecular structure, solid state effects and hydrogen bonding.

Mossbauer Spectroscopy and PESMossbauer spectroscopy, principle, Doppler effect, isomer shift, Zeeman splitting, quadrupole splitting, application of Mossbauer spectroscopy for studying Fe and Sn compounds and phase transformation. Photoelectron spectroscopy (PES), principle, application of PES. Structure determination using IR, UV-visible, NMR, MS and ESR spectral techniques.

TEXTBOOKS1.Colin N. Banwell and Elaine M. McCash, Fundamentals of Molecular Spectroscopy, 4th Edition, Tata McGraw Hill, 2007.2.W. Kemp, Organic Spectroscopy, 3rd Edition, McMillan International Higher Education3.D. L. Pavia, G. M. Lampman, G. A. Kriz, and J. R. Vyvyan, Introduction to Spectroscopy, 5th Edition, Brooks-Cole, 20094.G. M. Barrow, Introduction to Molecular Spectroscopy, McGraw Hill, 1962.5.R. M. Silverstein, F. X. Webster, D.J. Kiemle, Spectroscopic identification of organic molecules, 7th Edition, John Wiley6.P. S. Kalsi, Spectroscopy of Organic Compounds: New Age International Pvt Ltd 6th edition, 2006REFERENCES1.Hollas, J.M., Modern Spectroscopy, John Wiley & Sons, Fourth Edition, 20042.J. Keeler, Understanding NMR spectroscopy, Wiley, 20093.D. A. Skoog, F. J. Holler and S. R. Crouch, Principles of Instrumental Analysis, 6th Edition, Thomson Brooks/Cole, 2007.4.W. Kemp, NMR in Chemistry, McMillan, 19885.J. E. Wertz and J. R. Bolton Electron Spin Resonance, Springer Science