On the Wavelength-Dependent Photochemistry of the Atmospheric Molecule CF₃COCl.

ABSTRACT: The wavelength control of photochemistry usually results from ultrafast dynamics following the excitation of different electronic states. Here, we investigate the CF₃COCl molecule, exhibiting wavelength-dependent photochemistry both via (i) depositing increasing internal energy into a single state and (ii) populating different electronic states. We reveal the mechanism behind the photon-energy dependence by combining nonadiabatic ab initio molecular dynamics techniques with the velocity map imaging experiment. We describe a consecutive mechanism of photodissociation where an immediate release of Cl taking place in an excited electronic state is followed by a slower ground-state dissociation of the CO fragment. The CO release is subject to an activation barrier and is cont

SUBMITTER: Janos J 

PROVIDER: S-EPMC10658617 | biostudies-literature | 2023 Nov

REPOSITORIES: biostudies-literature