TY - JOUR
T1 - Resonance emission studies of the photodissociating water molecule
AU - Sension, Roseanne J.
AU - Brudzynski, Richard J.
AU - Hudson, Bruce S.
AU - Zhang, Jinzhong
AU - Imre, Dan G.
N1 - Funding Information:
This work was supported by NSF grants CHE85 11799,C HE88 16698a nd CHE8707 168. Ac-knowledgementi s also made to the Donors of the Petroleum ResearchF und, administrated by the American Chemical Society, for the partial support of this research.W e would like to thank Dr. R. Schinke for communication of his results prior to publication.
PY - 1990/3/1
Y1 - 1990/3/1
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=0001159285&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0001159285&partnerID=8YFLogxK
U2 - 10.1016/0301-0104(90)87072-J
DO - 10.1016/0301-0104(90)87072-J
M3 - Article
AN - SCOPUS:0001159285
SN - 0301-0104
VL - 141
SP - 393
EP - 400
JO - Chemical Physics
JF - Chemical Physics
IS - 2-3
ER -