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  Analysis of the pressure and temperature dependence of the complex-forming bimolecular reaction CH3OCH3 + Fe+.

Ard, S. G., Johnson, R. S., Martinez, O., Shuman, N. S., Guo, H., Troe, J., et al. (2016). Analysis of the pressure and temperature dependence of the complex-forming bimolecular reaction CH3OCH3 + Fe+. The Journal of Physical Chemistry A, 120(27), 5264-5273. doi:10.1021/acs.jpca.6b01125.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-002B-2320-A Version Permalink: http://hdl.handle.net/11858/00-001M-0000-002B-2325-F
Genre: Journal Article

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2328566.pdf (Publisher version), 821KB
 
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 Creators:
Ard, S. G., Author
Johnson, R. S., Author
Martinez, O., Author
Shuman, N. S., Author
Guo, H., Author
Troe, J.1, Author              
Viggiano, A., Author
Affiliations:
1Emeritus Group of Spectroscopy and Photochemical Kinetics, MPI for Biophysical Chemistry, Max Planck Society, ou_578625              

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 Abstract: The kinetics of the reaction CH3OCH3 + Fe+ has been studied between 250 and 600 K in the buffer gas He at pressures between 0.4 and 1.6 Torr. Total rate constants and branching ratios for the formation of Fe+O(CH3)(2) adducts and of Fe+OCH2 + CH4 products were determined. Quantum-chemical calculations provided the parameters required for an analysis in terms of statistical unimolecular rate theory. The analysis employed a recently developed simplified representation of the rates of complex-forming bimolecular reactions, separating association and chemical activation contributions. Satisfactory agreement between experimental results and kinetic modeling was obtained that allows for an extrapolation of the data over wide ranges of conditions. Possible reaction pathways with or without spin-inversion are discussed in relation to the kinetic modeling results.

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Language(s): eng - English
 Dates: 2016-05-262016-07-14
 Publication Status: Published in print
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 Rev. Method: Peer
 Identifiers: DOI: 10.1021/acs.jpca.6b01125
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Title: The Journal of Physical Chemistry A
Source Genre: Journal
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Pages: - Volume / Issue: 120 (27) Sequence Number: - Start / End Page: 5264 - 5273 Identifier: -