A G1 study of the isomers of ClOOBr and related systems

The ground-state energetics of the ClOOBr isomerising system using the G1 method are reported. The most stable isomer is ClOOBr itself, with a well depth of 26 kcal/mol, with respect to the reactants ClO and BrO. Heats of atomisation are reported. BrO2, BrOO and ClOBr are also studied.