On the quenching mechanism of Na*(32P32) by CO: Surface-hopping trajectory calculations with ab initio CI potential energy surfaces

Autor: Vlasta Bonačić-Koutecký, D. Papierowska-Kaminski, Maurizio Persico
Rok vydání: 1985
Předmět:
Zdroj: Chemical Physics Letters. 113:264-270
ISSN: 0009-2614
Popis: The quenching process of Na(32P 3 2 ) by the heteronuclear molecule CO has been studied employing surface-hopping trajectory calculations based on ab initio CI potential energy surfaces. Calculated “spectra” are in good agreement with those measured by crossed atomic, molecular and laser experiments. The analysis of final translational energy in terms of collision time, impact parameter and scattering angle shows that although the direct process has a dominant role, some complex formation takes place.
Databáze: OpenAIRE