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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2023
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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 |
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. |
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