화학공학소재연구정보센터
Chemical Physics Letters, Vol.319, No.5-6, 650-654, 2000
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.