Mechanistic and kinetic study on the reaction of 2;4-dibrominated diphenyl ether (BDE-7) with OH radicals

► Quantum chemical study on the structures and detailed reactions of BDE-7 with OH. ► Hydroxyl addition reactions are the major pathways. ► Phenyl ring without bromines is more active than the other one. ► Reaction rate constants of each elementary reaction have been obtained. ► The rate constants of BDE-7 is larger than BDE-47 while lower than BDE-15.