State-to-state quantum reactive scattering calculations and rate constant for nitrogen atoms in collision with NO radicals at low temperatures.
Total and state-to-state probabilities have been determined for the N + NO --> N(2) + O reaction for collision energies up to 0.6 eV using a time-independent quantum mechanical method. The probabilities as a function of collision energy show broad oscillations, in strong contrast with previous theoretical results obtained by means of a time-dependent wave packet method that show a dense resonance structure. The rate constant has been calculated in the J-shifting approach for temperatures between 10 and 400 K. It is in good agreement with previous theoretical results obtained only at 100 K and above 200 K and experiments in a wide temperature range.
Jorfi
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Institut UTINAM, UMR CNRS 6213, University of Franche-Comté, 25030 Besançon Cedex, France.
Honvault
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