Existence of hydrogen bonding between the hydroxyl radical and hydrogen peroxide: OH·H2O2

The hydrogen bonding between the OH radical and the H2O2 molecule has been studied using ab initio molecular orbital methods. The OH·H2O2 complex has a five-membered ring like structure with two distorted hydrogen bonds. The vibrational spectrum is reported. The binding energy D0 of the OH·H2O2 complex is predicted to be ∼4.1 kcal/mol.