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Isotopomer fractionation in the UV photolysis of N_2O: 2. Further comparison of theory and experiment

Chen, Wei-Chen and Prakash, Meher K. and Marcus, R. A. (2008) Isotopomer fractionation in the UV photolysis of N_2O: 2. Further comparison of theory and experiment. Journal of Geophysical Research D, 113 (D5). Art. No. D05309. ISSN 0148-0227. doi:10.1029/2007JD009180.

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Wavelength-dependent fractionation of various isotopomers in the photodissociation of N_2O is studied. The absorption cross sections are calculated by a time-independent reflection principle, related to the Prakash et al. (2005) treatment but now with an inclusion of the NN stretching coordinate and both the 2A′ and 1A″ electronic excited states. The added 1A″ state is found to have little effect on both the absorption cross section and the fractionation. The improvements include more physical details in the photodissociation of N_2O, while maintaining an advantage of a treatment in the work by Prakash et al. (2005) that was not computationally intensive. The present calculated fractionation, without a significant adjustable parameter, gives good agreement with experiments in the absorption cross section in the low-energy region, the important region for the experimentally observed isotopic fractionation.

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Marcus, R. A.0000-0001-6547-1469
Additional Information:© 2008 American Geophysical Union. Received 17 July 2007; revised 1 September 2007; accepted 18 December 2007; published 8 March 2008. It is a pleasure to acknowledge the support of this research by the National Science Foundation.
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Issue or Number:D5
Record Number:CaltechAUTHORS:20150316-141630410
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Official Citation:Chen, W.-C., M. K. Prakash, and R. A. Marcus (2008), Isotopomer fractionation in the UV photolysis of N2O: 2. Further comparison of theory and experiment, J. Geophys. Res., 113, D05309, doi:10.1029/2007JD009180
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:55807
Deposited By: Tony Diaz
Deposited On:16 Mar 2015 21:23
Last Modified:10 Nov 2021 20:50

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