Dynamical signatures from competing, nonadiabatic fragmentation pathways of S-nitrosothiophenol

Abstract

A joint experiment-theory study of the UV photolysis of S-nitrosothiophenol reveals competing photodissociation pathways that produce NO in its spin–orbit ground state and thiophenoxy radical in either its ground or excited electronic state.

Covariance-Map Imaging: A Powerful Tool for Chemical Dynamics Studies

“…This was driven partly by the need for high-level ab initio potential energy surfaces to aid in interpretation of the data, and partly due to a widely held belief that the rapid increase in the number of accessible states with molecular size would blur out any useful structure in the measured scattering distributions. These concerns proved to be unfounded, and there have since been many studies in which the photoproducts of significantly larger molecules have yielded highly structured, and therefore information-rich, images (see refs − for a few examples). In parallel with experimental developments such as multimass velocity-map imaging, dramatic increases in available computational power have made it possible to calculate at least reduced-dimensionality potential energy surfaces for much larger molecules than had been accessible previously.…”