On the stabilization of organic peroxides by plasticizers: Quantum chemical study on interactions of 2,2-dihydroperoxybutane with dimethyl Phthalate

Abstract

In this paper we would present our studies how organic peroxides are being stabilized by plasticizers used in manufacturing of organic peroxides as polymerization initiators etc. As an exemplary system, interactions between 2,2-dihydroperoxybutane and dimethyl phthalate (system already approved for commercial use) has been studied. The quantum chemical study protocol was to investigate for the first time the interactions between a plasticizer and the peroxide – indicating that the interaction energy of about -15 kcal/mol favors the formation of a supramolecular system.