Quantum/classical studies of vibrationally mediated photodissociation of Ar x H2O.
Results of multiple configuration quantum/classical simulations of the dynamics of Ar x H2O photodissociation are reported. In agreement with experimental studies of Nesbitt and co-workers [J. Chem. Phys. 2000, 112, 7449], we find that the OH products emerge rotationally excited, compared to the dissociation of bare H2O. The wavelength dependence of the total cross section and the energy transfer to the argon atom are also investigated. The trends are interpreted in terms of features in the Ar x H2O A state potential surface.
Chen
Feng
F
Department of Chemistry, The Ohio State University, Columbus, Ohio 43210, USA.
McCoy
Anne B
AB