The isomerization of HOOBr to HOBrO

A second transition state for the process of isomerization of HOOBr→HOBrO has been located theoretically, using ab initio molecular orbital methods. The energy barrier for this isomerization pathway is found to be 39.4 kcal mol−1. This result suggests that the barrier is sufficiently high so as not to facilitate the isomerization of HOOBr to HOBrO.