Multi-State Analysis of the OCS Ultraviolet Absorption Including Vibrational Structure

Authors

Johan A. Schmidt, University of CopenhagenFollow
M. S. Johnson, University of Copenhagen
George C. McBane, Grand Valley State UniversityFollow
Reinhard Schinke, Max-Planck-Institut für Dynamik und SelbstorganisationFollow

Disciplines

Biological and Chemical Physics

Abstract

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 2¹A' 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 2³A" triplet state, whereas the structures at the very low energies are caused by bending excitation in the potential wells of states 2¹A' and 1¹A".

Original Citation

Schmidt, J. A., Johnson, M. S., McBane, G. C., & Schinke, R. (2012). Communication: Multi-state analysis of the OCS ultraviolet absorption including vibrational structure. The Journal of Chemical Physics, 136(13), 131101. https://doi.org/10.1063/1.3701699

ScholarWorks Citation

Schmidt, Johan A.; Johnson, M. S.; McBane, George C.; and Schinke, Reinhard, "Multi-State Analysis of the OCS Ultraviolet Absorption Including Vibrational Structure" (2012). Peer Reviewed Articles. 23.
https://scholarworks.gvsu.edu/chm_articles/23