Biological and Chemical Physics


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