TY - JOUR
T1 - A combined experimental and theoretical study of resonance emission spectra of SO2(C̃ 1B2 )
AU - Parsons, Brad
AU - Butler, Laurie J.
AU - Xie, Daiqian
AU - Guo, Hua
N1 - Funding Information:
The work at University of Chicago was supported by the Division of Chemical Sciences, Office of Basic Energy Sciences, Office of Energy Research, US Department of Energy, under Grant No. DE-FG02-92ER14305. The UNM team was supported by the National Science Foundation (CHE-9713995) and in part by the National Natural Science Foundation of China (DX). We thank Prof. Yamanouchi and Dr. Katagiri for sending us the ab initio data of SO 2 .
PY - 2000/4/14
Y1 - 2000/4/14
N2 - Experimental and theoretical resonance emission spectra are obtained for a number of vibrational states of SO2(C̃ 1B2). The experimental emission spectra are dominated by (n1ν1, n2ν2, 0) bands, but some weak activity in the anti-symmetric stretch (ν3) is observed. The calculated emission spectra based on an empirical near-equilibrium potential energy surface agree reasonably well with experiment for two lowest states investigated here, but fail to reproduce higher ones. Resonance Raman spectra are also calculated and agree well with an earlier experiment.
AB - Experimental and theoretical resonance emission spectra are obtained for a number of vibrational states of SO2(C̃ 1B2). The experimental emission spectra are dominated by (n1ν1, n2ν2, 0) bands, but some weak activity in the anti-symmetric stretch (ν3) is observed. The calculated emission spectra based on an empirical near-equilibrium potential energy surface agree reasonably well with experiment for two lowest states investigated here, but fail to reproduce higher ones. Resonance Raman spectra are also calculated and agree well with an earlier experiment.
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U2 - 10.1016/S0009-2614(00)00253-0
DO - 10.1016/S0009-2614(00)00253-0
M3 - Article
AN - SCOPUS:0042527954
VL - 320
SP - 499
EP - 506
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 5-6
ER -