Unimolecular dissociation of C6H6-C6F6 complex in N2 bath and comparison with gas phase dynamics.

• Unimolecular dissociation of C 6 H 6 -C 6 H 6 complex is studied in N 2 bath model. • At N 2 -bath density of 20 kg/m3 (17.5 atm) shows similar behavior of the dissociation as does in the gas phase dynamics. • At higher bath density there is no direct dissociation of the complex and the dynamics is entirely different. 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/m3 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/m3 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. [ABSTRACT FROM AUTHOR]