Thermal kinetics in small systems. II. Generalized Arrhenius plots with applications to the dissociation of benzene and substituted-benzene cations

Article abstract of DOI:10.1063/1.458889

Rate constans for the dissociation of isolated benzene and substituted-benzene cations are analyzed.In the first section Arrhenius activation energies are deduced.A primitive version of the adiabatic channel model is then used to reduce these activation energies to their values at zero Kelvin.A value for the heat of formation at that temperature of the C6H5⁺ ion equal to 1130 kJ/mol is reported.Attention is drawn to a remarkable constancy (and also two anomalies) in the frequency factors for these reactions.The predictive capability of the adiabatic channel model is then examined.It is found to yield kinetic isotope effects in good agreement with experiment.

Full text of DOI:10.1063/1.458889

Thermal kinetics in small systems. II. Generalized Arrhenius plots with applications to
the dissociation of benzene and substitutedbenzene cations
Cornelius E. Klots
Citation: The Journal of Chemical Physics 93, 2513 (1990); doi: 10.1063/1.458889
View online: http://dx.doi.org/10.1063/1.458889
View Table of Contents: http://scitation.aip.org/content/aip/journal/jcp/93/4?ver=pdfcov
Published by the AIP Publishing
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This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP:
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This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP:
132.174.255.116 On: Thu, 18 Dec 2014 08:33:43

This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP:
132.174.255.116 On: Thu, 18 Dec 2014 08:33:43

This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP:
132.174.255.116 On: Thu, 18 Dec 2014 08:33:43

This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP:
132.174.255.116 On: Thu, 18 Dec 2014 08:33:43

This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP:
132.174.255.116 On: Thu, 18 Dec 2014 08:33:43

This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP:
132.174.255.116 On: Thu, 18 Dec 2014 08:33:43

This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP:
132.174.255.116 On: Thu, 18 Dec 2014 08:33:43