Issue 43, 2019

Falloff curves and mechanism of thermal decomposition of CF3I in shock waves

Abstract

The falloff curves of the unimolecular dissociation CF3I (+Ar) → CF3 + I (+Ar) are modelled by combining quantum-chemical characterizations of the potential energy surface for the reaction, standard unimolecular rate theory, and experimental information on the average energy transferred per collision between excited CF3I and Ar. The (essentially) parameter-free theoretical modelling gives results in satisfactory agreement with data deduced from earlier shock wave experiments employing a variety of reactant concentrations (between a few ppm and a few percent in the bath gas Ar). New experiments recording absorption–time signals of CF3I, I2, CF2 and (possibly) IF at 450–500 and 200–300 nm are reported. By analysing the decomposition mechanism, besides the unimolecular dissociation of CF3I, these provide insight into the influence of secondary reactions on the experimental observations.

Graphical abstract: Falloff curves and mechanism of thermal decomposition of CF3I in shock waves

Supplementary files

Article information

Article type
Paper
Submitted
28 Aug 2019
Accepted
07 Oct 2019
First published
09 Oct 2019
This article is Open Access
Creative Commons BY license

Phys. Chem. Chem. Phys., 2019,21, 23893-23899

Falloff curves and mechanism of thermal decomposition of CF3I in shock waves

C. J. Cobos, L. Sölter, E. Tellbach and J. Troe, Phys. Chem. Chem. Phys., 2019, 21, 23893 DOI: 10.1039/C9CP04771A

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. You can use material from this article in other publications without requesting further permissions from the RSC, provided that the correct acknowledgement is given.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements