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

Autor:	Cobos CJ; INIFTA, Facultad de Ciencias Exactas, Universidad Nacional de La Plata, CONICET, CP 1900 La Plata, Argentina., Tellbach E; Max-Planck-Institut für Multidisziplinäre Naturwissenschaften, Am Fassberg 11, D-37077 Göttingen, Germany.; Institut für Physikalische Chemie, Universität Göttingen, Tammannstr. 6, D-37077 Göttingen, Germany., Sölter L; Max-Planck-Institut für Multidisziplinäre Naturwissenschaften, Am Fassberg 11, D-37077 Göttingen, Germany.; Institut für Physikalische Chemie, Universität Göttingen, Tammannstr. 6, D-37077 Göttingen, Germany., Troe J; Max-Planck-Institut für Multidisziplinäre Naturwissenschaften, Am Fassberg 11, D-37077 Göttingen, Germany.; Institut für Physikalische Chemie, Universität Göttingen, Tammannstr. 6, D-37077 Göttingen, Germany.
Jazyk:	angličtina
Zdroj:	The journal of physical chemistry. A [J Phys Chem A] 2023 Feb 23; Vol. 127 (7), pp. 1697-1701. Date of Electronic Publication: 2023 Feb 13.
DOI:	10.1021/acs.jpca.3c00011
Abstrakt:	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.
Databáze:	MEDLINE
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