Communication: Multi-state analysis of the OCS ultraviolet absorption including vibrational structure

The first absorption band of OCS (carbonyl sulfide) is analyzed using potential energy surfaces and transition dipole moment functions of the lowest four singlet and the lowest four triplet states. Excitation of the 2 (1)A' state is predominant except at very low photon energies. It is shown th...

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Published inThe Journal of chemical physics Vol. 136; no. 13; p. 131101
Main Authors Schmidt, J A, Johnson, M S, McBane, G C, Schinke, R
Format Journal Article
LanguageEnglish
Published United States 07.04.2012
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Summary:The first absorption band of OCS (carbonyl sulfide) is analyzed using potential energy surfaces and transition dipole moment functions of the lowest four singlet and the lowest four triplet states. Excitation of the 2 (1)A' state is predominant except at very low photon energies. It is shown that the vibrational structures in the center of the band are due to excitation of the 2 (3)A'' triplet state, whereas the structures at very low energies are caused by bending excitation in the potential wells of states 2 (1)A' and 1 (1)A''.
ISSN:1089-7690
DOI:10.1063/1.3701699