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

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. (c) 2022 The Author(s). Published by Elsevier B.V. This is an open access article under the CC BY license ( http://creativecommons.org/licenses/by/4.0/ )

Automated summary

In this paper, we present a study on how plasticizers stabilize organic peroxides in the manufacturing process, particularly as polymerization initiators. Using the system of 2,2-dihydroperoxybutane and dimethyl phthalate, which is already approved for commercial use, we examine the interactions between a plasticizer and the peroxide. Our quantum chemical study reveals that the interaction energy promotes the formation of a supramolecular system.