El ectron Density Analysis of Un usual Oxygen-Oxygen Bonds in Benzo yl Peroxide

Benzoyl peroxide (BPO) is an organic compound con sists of two benzoyl gr oups bridged by a peroxi de link. This compound has import ant application in improving flour, bleaching hair and teeth, polymerizing polyester and many other uses [۱]. The O-O bond in per oxides is so weak and BPO readily undergoes h omolysis (sy mmetrical b reaking) forming free radicals C۶H۵CO۲• [۲]. The reactivit y of BPO and its derivatives is dir ectly affected by the properties of O-O bond. In this wor k, nature of O-O bond in BPO in th e present of electron do nor and acc eptor substituents is inv estigated at ortho, meta and para positions. Th e atoms in molecules (AIM) analys es are applied to evaluate the bond properties of O-O.

کلیدواژه ها:

Atom s in molecules ، benzoyl peroxide