Photodissociation Dynamics of C6F5Br at 234 nm: Fluorieation Effects on Br/Br~* Formation Pathways

摘要

Photodissociation dynamics of organic halides has been extensively investigated due to its potential to the stratosphere ozone depletion and relevant environmental problems. For example, alkyl bromide as the simplest organic halides has been used for model of photodissociation dynamics. The A-band of alkyl bromide arises from the C-Br bond localized σ~* ← n transition and consists of three overlapping transitions to repulsive states (~3Q1, ~3Q0, and ~1Q1: on ascending order of excitation energy). The dominant transition in the A-band is to the ~3Q_(0+) state which correlates to the Br~*(~2P_(1/2)) products, suggesting the spin-orbit ground Br(~2P_(3/2)) atom formation arises as a results of nonadiabatic coupling between the ~3Q_(0+) and ~2Q1 PESs via a conical intersection along the C-Br bond coordinate.