Experimental and theoretical studies of the reaction of atomic oxygen with silane

Article abstract of DOI:10.1063/1.464513

The flash-photolysis resonance-fluorescence technique has been employed to measure the rate constant for O + SiH4 <*> products from 295-565 K, and yielded k₁ = 1.23 x 10^-10 exp(-14.6 kJ mol^-1/RT) cm³ s^-1 with an accuracy of about +/-15percent.The transition state for direct H-atom abstraction has been characterized at up to the Gaussian-2 ab initio level of theory.With small adjustments it is possible to model kinetic data for O + SiH4 in terms of an abstraction channel leading to OH + SiH3.This agreement does not rule out minor participation by addition or insertion channels, but there is no theoretical evidence for bound triplet intermediates in the potential energy surface.A transition state theory analysis suggests that k₁ at 1000 K is 16 times larger than previously thought.

Full text of DOI:10.1063/1.464513

Experimental and theoretical studies of the reaction of atomic oxygen with silane
Luying Ding and Paul Marshall
Citation: The Journal of Chemical Physics 98, 8545 (1993); doi: 10.1063/1.464513
View online: http://dx.doi.org/10.1063/1.464513
View Table of Contents: http://scitation.aip.org/content/aip/journal/jcp/98/11?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:
137.112.220.16 On: Mon, 01 Dec 2014 19:54:38

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:
137.112.220.16 On: Mon, 01 Dec 2014 19:54:38

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:
137.112.220.16 On: Mon, 01 Dec 2014 19:54:38

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:
137.112.220.16 On: Mon, 01 Dec 2014 19:54:38

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:
137.112.220.16 On: Mon, 01 Dec 2014 19:54:38