Influence of Molecular Parameters on Rate Constants of Thermal Dissociation/Recombination Reactions: The Reaction System CF4 ⇄ CF3 + F

Autor:	Carlos J. Cobos, Elsa Tellbach, Lars Sölter, Jürgen Troe
Rok vydání:	2023
Předmět:	Physical and Theoretical Chemistry
Zdroj:	The Journal of Physical Chemistry A
ISSN:	1520-5215 1089-5639
DOI:	10.1021/acs.jpca.3c00011
Popis:	The possibilities to extract incompletely characterized molecular parameters from experimental thermal rate constants for dissociation and recombination reactions are explored. The reaction system CF4 (+M) ⇄ CF3 + F (+M) is chosen as a representative example. A set of falloff curves is constructed and compared with the available experimental database. Agreement is achieved by minor (unfortunately not separable) adjustments of reaction enthalpy and collisional energy transfer parameters.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9df186325fbfc6a8ae6854be92d89a4d https://doi.org/10.1021/acs.jpca.3c00011 Zobrazit plný text záznamu