Vibrational Spectra:Principles and Applications with emphasis on optical activity

Abstract

Introduction - quantum theoretical techniques: interaction with electric field time independent perturbation theory time dependent perturbation theory transition rates spectrzal intensilties transition polarizabilites. Diatomic molecules: vibrational equation energy levels of harmonic oscillator energy levels of anharmonic oscillator energy levels of Morse oscillator electric dipole transition moments of harmonic oscillator electric dipole transition moments of anharmonic oscillarot rlectric dipole transition moments of Morse oscillator magnetic dipole transition moments of harmonic oscillator magnetic diploe transition moments of anharmonic oscillator transition polarizabilities. Polyatomic molecules: energy levels of harmonic oscillators energy levels of anharmonic oscillators electric dipole transition moments of harmonic oscillators electric dipole transition moments of anharmonic oscillators magnetic dipole transition moments of harmonic oscillators magnetic dipole transition moments of anharmonic oscillators. Vibrational analysis: Cartesian displacement co-ordinates internal co-ordinates energy distribution non-equilibrium geometries redundant internal co-ordinates. Local modes: Hamiltonian in local co-ordinates approximations. Vibrational frequencies and force constants: molecular orbital theory energy derivatives. Vibrational absorption and circular dichroism: vibrational absorption spectra vibrational circular dichroism spectra. Vibrational Raman and Raman optical activity: vibrational Raman spectra vibrational Raman optical activity spectra. Applications of symmetry: symmetry operations and point groups representations vibrational properties. Principles of spectral measurements: polarization modulation using a photoelastic modulator polarization modulation using a quarter-wave retarder double polarization modulation dispersive spectrometers. Amplitude division interferometry: principles of measurements. Polarization division interferometry:PDIs based on Wollaston prism PDIs based on wire-grid beamsplitters principles of measurements additional modulations time resolved measurements double polarization modulation interferometers. Applications and molecular structure: vibrational frequencies and absorption and Raman spectra vibrational circular dichroism spectra. Appendix: summation convention for vector products harmonic oscillator integrals with dimensionless p and q operators some relations among dimensionless p and q operators polarized light summation convention for tensor products vibrational Raman optical activities.