The results of a resonance Raman study of the X→A transition of water and its isotopomers, D2O and HOD, are presented. Spectra were obtained using 174.6, 171.4 and 160.0 nm excitation in resonance with this transition. These spectra exhibit intensity in overtone bands of the stretching vibrations. There is no activity in the bending vibration. The experimental data are corrected for instrument response and compared quantitatively to spectra calculated using a quantum mechanical time-dependent wave packet propagation technique with the ab initio excited electronic state potential energy surface of Staemmler and Palma. The agreement between the calculated and experimental spectra is excellent.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry