Dynamics Study of the O + HO2 Reaction Using Two DMBE Potential Energy Surfaces:  The Role of Vibrational Excitation

• Published in: The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Vol. 108; no. 41; pp. 8721 - 8730
• Main Authors: Silveira, Dora M, Caridade, Pedro J. S. B, Varandas, António J. C
• Format: Journal Article
• Language: English
• Published: American Chemical Society 14.10.2004
• ISSN: 1089-5639; 1520-5215
• DOI: 10.1021/jp049575z

We investigate the effect of vibrational excitation on the dynamics and kinetics of the atmospheric reaction O(3 P) + HO2 → OH + O2 using two double many-body expansion potential energy surfaces previously reported. The results show that such an effect is relatively minor even considering HO2 with contents of vibrational excitation close to the H + O2 dissociation asymptote. It should therefore not bear drastic implications in atmospheric modeling where such an effect has been ignored thus far.