Chemical Physics Letters, Vol.730, 630-633, 2019
Unimolecular dissociation of C6H6-C6F6 complex in N-2 bath and comparison with gas phase dynamics
Chemical dynamics simulations are performed to study the dissociation of excited benzene-hexafluorobenzene (Bz-HFB) complex in N-2 bath and the results are compared with the gas phase dynamics. Two N-2 bath densities 20 and 750 kg/m(3) are considered. Bz-HFB is excited with respect to the temperatures of 1000, 1500, and 2000 K at each bath density. The nature of the Bz-HFB* dissociation dynamics at the bath density of 20 kg/m(3) is quite similar to gas phase one, but the same is drastically different at high bath density where energy transfer pathway dominates over dissociation and negligible direct dissociation of Bz-HFB* is reported.