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Influence of Molecular Parameters on Rate Constants of Thermal Dissociation/Recombination Reactions: The Reaction System CF(4) ⇄ CF(3) + F

[Image: see text] The possibilities to extract incompletely characterized molecular parameters from experimental thermal rate constants for dissociation and recombination reactions are explored. The reaction system CF(4) (+M) ⇄ CF(3) + F (+M) is chosen as a representative example. A set of falloff c...

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Detalles Bibliográficos
Autores principales: Cobos, Carlos J., Tellbach, Elsa, Sölter, Lars, Troe, Jürgen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9969511/
https://www.ncbi.nlm.nih.gov/pubmed/36779705
http://dx.doi.org/10.1021/acs.jpca.3c00011
Descripción
Sumario:[Image: see text] The possibilities to extract incompletely characterized molecular parameters from experimental thermal rate constants for dissociation and recombination reactions are explored. The reaction system CF(4) (+M) ⇄ CF(3) + 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.