HR: 0800h
AN: SA11A-0219    [Abstracts]
TI: Quantum-mechanical investigations of the N(⁴S) + O_2(X³σ^-_g) → NO(X²Π) + O(³P) reaction
AU: * Naduvalath, B
EM: naduvala@unlv.nevada.edu
AF: Department of Chemistry, University of Nevada Las Vegas, 4505 Maryland Parkway, Las Vegas, NV 89154 United States
AU: Sultanov, R
EM: sultano2@unlv.nevada.edu
AF: Department of Chemistry, University of Nevada Las Vegas, 4505 Maryland Parkway, Las Vegas, NV 89154 United States
AB: 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.
DE: 0300 ATMOSPHERIC COMPOSITION AND STRUCTURE
DE: 0310 Airglow and aurora
DE: 0317 Chemical kinetic and photochemical properties
DE: 0355 Thermosphere: composition and chemistry
DE: 0358 Thermosphere: energy deposition (3369)
SC: SPA-Aeronomy [SA]
MN: Fall Meeting 2005