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Ultraviolet Photodissociation Of Ocs: Product Energy And Angular Distributions, George C. Mcbane, Johan A. Schmidt, M. S. Johnson, Reinhard Schinke

Peer Reviewed Articles

The ultraviolet photodissociation of carbonyl sulfide (OCS) was studied using three-dimensional potential energy surfaces and both quantum mechanical dynamics calculations and classical trajectory calculations including surface hopping. The transition dipole moment functions used in an earlier study [J. A. Schmidt, M. S. Johnson, G. C. McBane, and R. Schinke, J. Chem. Phys. 137, 054313 (2012)] were improved with more extensive treatment of excited electronic states. The new functions indicate a much larger contribution from the 1 ¹A" state (¹Σ^- in linear OCS) than was found in the previous work. The new transition dipole functions yield …