Experimental and modeling study of the reaction C2F4 (+ M) CF2 + CF2 (+ M).

Cobos, C. J.; Croce, A. E.; Luther, K.; Sölter, L.; Tellbach, E.; Troe, J.

doi:10.1021/jp408363s

Item

ITEM ACTIONSEXPORT

Add to Basket

Local TagsRelease HistoryDetailsSummary

Released

Journal Article

Experimental and modeling study of the reaction C2F4 (+ M) CF2 + CF2 (+ M).

MPS-Authors

/persons/resource/persons15934

Troe, J.
Emeritus Group of Spectroscopy and Photochemical Kinetics, MPI for Biophysical Chemistry, Max Planck Society;

External Resource

http://pubs.acs.org/doi/pdf/10.1021/jp408363s
(Publisher version)

Fulltext (restricted access)

There are currently no full texts shared for your IP range.

Fulltext (public)

There are no public fulltexts stored in PuRe

Supplementary Material (public)

There is no public supplementary material available

Citation

Cobos, C. J., Croce, A. E., Luther, K., Sölter, L., Tellbach, E., & Troe, J. (2013). Experimental and modeling study of the reaction C2F4 (+ M) CF2 + CF2 (+ M). The Journal of Physical Chemistry A, 117(45), 11420-11429. doi:10.1021/jp408363s.

Cite as: https://hdl.handle.net/11858/00-001M-0000-0014-BFCE-2

Abstract

The thermal dissociation reaction C2F4(+ M) 2CF2(+ M) was studied in shock waves monitoring CF2 radicals by their UV absorption. The absorption coefficients as functions of wavelength and temperature were redetermined and are represented in analytical form. Dissociation rate constants as functions of bath gas concentration [M] and temperature, from previous and the present work, are presented analytically employing falloff expressions from unimolecular rate theory. Equilibrium constants are determined between 1200 and 1500 K. The data are shown to be consistent, with a C-C bond energy of 67.5 (0.5) kcal mol(-1). High-pressure limiting rate constants for dissociation and recombination are found to be unusually small. This phenomenon can be attributed to an unusually pronounced anisotropy of the potential energy surface, such as demonstrated by quantum-chemical calculations of the potential energy surface.