The branching ratio of the O(1D) + HD reaction: a dynamical study

Rio, Carolina; Brandão, J.

http://hdl.handle.net/10400.1/5380

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Authors

Rio, Carolina

Brandão, J.

Abstract(s)

The isotopic branching on the reaction of O(1D) + HD has been the subject of several theoretical and experimental studies with results ranging from 1 to 2 for the OD/OH product ratio. We present a study of the dynamics of this reaction using a double-valued potential energy surface for the ground state water molecule. Our results predict a branching ratio close to 2 for this reaction in agreement with statistical studies but in contrast with experiment. This result can be attributed to the formation and dynamics of the intermediate complex.