ARC Centre of Excellence for Free-Radical Chemistry and Biotechnology, Research School of Chemistry, Australian National University, Canberra ACT 0200, Australia.
Phys Chem Chem Phys. 2013 Oct 21;15(39):16428-31. doi: 10.1039/c3cp52863d. Epub 2013 Aug 15.
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.
量子化学计算表明,臭氧能够引发聚甲基丙烯酸甲酯的一系列降解过程。关键在于 1,2,4-三恶烷的自分解,它经历自旋体系间交叉过程和 O-O 键的断裂,解开一个三重态自由基中间体,从而促进聚合物链的自动降解。