New insights into 1,2,4-trioxolane stability and the crucial role of ozone in promoting polymer degradation

Abstract

Quantum chemical calculations reveal that ozone is capable of instigating a series of degradative processes in poly(methyl methacrylate). The crux lies in the self-decomposition of 1,2,4-trioxolane, which undergoes a spin intersystem crossing process and O–O bond cleavage to unravel a triplet biradical intermediate that facilitates auto-degradation of the polymer chain.