Quasiclassical trajectory study of the rotational distribution for the O+NO(v = 0) fundamental vibrational excitation |
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| Authors: | B R L Galvão J A Corzo‐Espinoza P J S B Caridade A J C Varandas |
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| Institution: | 1. Departamento de Química, Universidade de Coimbra, 3004‐535 Coimbra, Portugal;2. Universidad Camilo Cienfuegos, Matanzas, Cuba |
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| Abstract: | Quasiclassical trajectories have been run to study the fundamental one‐quantum vibrational transition formed from collisions of ground‐state nitric oxide with atomic oxygen at temperatures of 500, 750, and 1000 K. Two adiabatic potential energy surfaces of different symmetry (2A′ and 2A″ of NO2) have been utilized. The rate constant for the title process is given along with the rotational distributions, and the results shown to corroborate previous atmospheric models that describe the nascent state by a Maxwell–Boltzmann distribution at the local temperature. © 2011 Wiley Peiodicals, Inc. Int J Chem Kinet 43: 345–352, 2011 |
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