Reaction products with internal energy beyond the kinematic limit result from trajectories far from the minimum energy path: An example from H+HBr -> H-2+Br JOURNAL OF THE AMERICAN CHEMICAL SOCIETY Pomerantz, A. E., Camden, J. P., Chiou, A. S., Ausfelder, F., Chawla, N., Hase, W. L., Zare, R. N. 2005; 127 (47): 16368-16369


The importance of reactive trajectories straying far from the minimum energy path is demonstrated for the bimolecular reaction H + HBr --> H2(v', j') + Br at 53 kcal/mol collision energy. Product quantum state distributions are measured and calculated using the quasi-classical trajectory technique, and the calculations indicate that highly internally excited H2 products result from indirect reactive trajectories with bent transition states. A general argument is made suggesting that reaction products with internal energy exceeding a kinematic constraint can, in general, be attributed to reactive collisions straying far from the minimum energy path.

View details for DOI 10.1021/ja055440a

View details for PubMedID 16305203