Resonance Raman spectroscopy and density functional theory study of the photodissociation dynamics of acetophenone in cyclohexane solution

Abstract

Resonance Raman spectra were acquired for acetophenone using 228.7, 239.5, and 245.9 nm excitations in cyclohexane solution. The spectra display overtones of the benzene ring C–C stretch (1578 cm −1) and the carbonyl C O stretch (1671 cm −1) modes and their combination bands with other five vibrational modes. A preliminary resonance Raman intensity analysis was done and these results for acetophenone were compared to the those previously reported for 2-hydroxyacetophenone. The differences between the vibrational reorganizational energies for acetophenone relative to those of 2-hydroxyacetophenone were briefly discussed.