he H2 + H3+ reactive collisions are studied using a combination of quasi-classical trajectory (QCT) and statistical methods to account for the nuclear spin statistics. The statistical approach of Park and Light[1] is improved by considering a full potential energy surface[2] to account for the shape of the charge distribution on H3+. Also, the QCT reaction probabilities obtained for the identity/hop/exchange mechanisms are used to modify the so called scrambling matrix[3]. This allows to describe the transition between full scrambling statistical behavior, characteristic at low temperatures, and a more direct hop mechanism at higher temperatures. Comparison with recent experimental results[4] will be also discussed. Finally, the H2 + H2+ ¿ H3+ + H reaction will be studied using QCT method on a recently developed global potential energy surface[5].

7th International Meeting on Photodynamics, Maresias SP, Brasil, 14 to 20th of October 2012. http://www.usp.br/dinamica/

Support: Ministerio de Ciencia e Innovavión (SPAIN) under grant. CDS2009-00038.

Peer Reviewed