Quantum-mechanical investigations of the N(4S) + O_2(X3σ-_g) → NO(X2Π) + O(3P) reaction
Abstract
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 X2A' and a4A' electronic potential energy surfaces Sayós 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 calculations. 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. Results are compared with available experimental and theoretical data.
- Publication:
-
AGU Fall Meeting Abstracts
- Pub Date:
- December 2005
- Bibcode:
- 2005AGUFMSA11A0219N
- Keywords:
-
- 0300 ATMOSPHERIC COMPOSITION AND STRUCTURE;
- 0310 Airglow and aurora;
- 0317 Chemical kinetic and photochemical properties;
- 0355 Thermosphere: composition and chemistry;
- 0358 Thermosphere: energy deposition (3369)