Quantum mechanical investigations of the N(4S)+O2(X 3Sigmag -)-->NO(X 2Pi)+O(3P) reaction.
The reaction between energetic nitrogen atoms and oxygen molecules has received important attention in connection with nitric oxide chemistry in the lower thermosphere. We report time-independent quantum mechanical calculations of the N(4S)+O2-->NO+O reaction employing the X 2A' and a 4A' electronic potential energy surfaces of Sayos et al. [J. Chem. Phys. 117, 670 (2002)]. We confirm the production of highly vibrationally excited NO molecules, consistent with previous semiclassical and more recent time-dependent quantum wave packet studies. Calculations are carried out for total angular momentum quantum number J=0 and cross sections and rate coefficients are extracted using the J-shifting approximation. The results are in good agreement with available experimental and theoretical data.
Sultanov
Renat A
RA
Business Computer Research Laboratory, Saint Cloud State University, Saint Cloud, Minnesota 56301-4498, USA. sultanov@bcrl.stcloudstate.edu
Balakrishnan
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