A shock tube study of the reaction NH2 + CH4 → NH3 + CH3 and comparison with transition state theory

Soonho Song; David M. Golden; Ronald K. Hanson; Craig T. Bowman; Juan P. Senosiain; Charles B. Musgrave; Gernot Friedrichs

doi:10.1002/kin.10131

A shock tube study of the reaction NH₂ + CH₄ → NH₃ + CH₃ and comparison with transition state theory

Soonho Song, David M. Golden, Ronald K. Hanson, Craig T. Bowman, Juan P. Senosiain, Charles B. Musgrave, Gernot Friedrichs

Department of Mechanical Engineering

Research output: Contribution to journal › Article › peer-review

20 Citations (Scopus)

Abstract

The rate coefficient for NH₂+CH₄→NH₃+CH₃ (R1) was measured in a shock tube in the temperature range 1591-2084 K using FM spectroscopy to monitor NH₂ radicals. The measurements were combined with a calculation of the potential energy surface and canonical transition state theory with WKB tunneling to obtain an expression for rate coefficients. The standard theoretical calculations yielded reasonable structures and energetics for transition states for H-abstraction reactions.

Original language	English
Pages (from-to)	304-309
Number of pages	6
Journal	International Journal of Chemical Kinetics
Volume	35
Issue number	7
DOIs	https://doi.org/10.1002/kin.10131
Publication status	Published - 2003 Jul

All Science Journal Classification (ASJC) codes

Biochemistry
Physical and Theoretical Chemistry
Organic Chemistry
Inorganic Chemistry

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10.1002/kin.10131

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abstract = "The rate coefficient for NH2+CH4→NH3+CH3 (R1) was measured in a shock tube in the temperature range 1591-2084 K using FM spectroscopy to monitor NH2 radicals. The measurements were combined with a calculation of the potential energy surface and canonical transition state theory with WKB tunneling to obtain an expression for rate coefficients. The standard theoretical calculations yielded reasonable structures and energetics for transition states for H-abstraction reactions.",

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AU - Musgrave, Charles B.

AU - Friedrichs, Gernot

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AB - The rate coefficient for NH2+CH4→NH3+CH3 (R1) was measured in a shock tube in the temperature range 1591-2084 K using FM spectroscopy to monitor NH2 radicals. The measurements were combined with a calculation of the potential energy surface and canonical transition state theory with WKB tunneling to obtain an expression for rate coefficients. The standard theoretical calculations yielded reasonable structures and energetics for transition states for H-abstraction reactions.

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A shock tube study of the reaction NH₂ + CH₄ → NH₃ + CH₃ and comparison with transition state theory

Abstract

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