New insights into the mechanism of amine/nitroxide cycling during the hindered amine light stabilizer inhibited oxidative degradation of polymers

Gryn'ova, GannaIngold, Keith UCoote, Michelle2015-12-070002-7863http://hdl.handle.net/1885/17486High-level ab initio molecular orbital theory calculations are used to identify the origin of the remarkably high inhibition stoichiometric factors exhibited by dialkylamine-based radical-trapping antioxidants. We have calculated the free energy barriersKeywords: Ab initio molecular orbital theory; Alkoxyamines; Experimental observation; Gasphase; Hindered amine light stabilizer; Hydrogen atoms; Nitroxides; Oxidative degradation; Reaction energy; Regeneration cycles; Stoichiometric factors; Calculations; Hydrogen;New insights into the mechanism of amine/nitroxide cycling during the hindered amine light stabilizer inhibited oxidative degradation of polymers201210.1021/ja30063792016-02-24