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

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Tellbach,  Elsa
Department of Dynamics at Surfaces, Max Planck Institute for Multidisciplinary Sciences, Max Planck Society;

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Sölter,  Lars
Department of Dynamics at Surfaces, Max Planck Institute for Multidisciplinary Sciences, Max Planck Society;

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Troe,  Jürgen
Emeritus Group Spectroscopy and Photochemical Kinetics, Max Planck Institute for Multidisciplinary Sciences, Max Planck Society;

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acs.jpca.3c00011.pdf
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Citation

Cobos, C. J., Tellbach, E., Sölter, L., & Troe, J. (2023). Influence of Molecular Parameters on Rate Constants of Thermal Dissociation/Recombination Reactions: The Reaction System CF4 ⇄ CF3 + F. The Journal of Physical Chemistry A, 127(7), 1697-1701. doi:10.1021/acs.jpca.3c00011.


Cite as: https://hdl.handle.net/21.11116/0000-000C-AB44-7
Abstract
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.