DFT calculation and Raman excitation profile studies of benzophenone molecule

Excitation profiles of different Raman bands of benzophenone molecule have been critically analysed. Structural and symmetry properties of the molecule in different electronic states have been investigated. The possibility of existence of an excited electronic state in the region bellow 200 nm has been explored. Calculations on isolated molecule in gas phase have been performed with the use of density functional theory to correlate the observed vibrational spectra. The time dependent density functional theory has used to determine the singlet excitation energies. The optimized structural parameters have also been computed.