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

Date

2012

Authors

Gryn'ova, Ganna
Ingold, Keith U
Coote, Michelle

Journal Title

Journal ISSN

Volume Title

Publisher

American Chemical Society

Abstract

High-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 barriers

Description

Keywords

Keywords: 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;

Citation

Source

Journal of the American Chemical Society

Type

Journal article

Book Title

Entity type

Access Statement

License Rights

DOI

10.1021/ja3006379

Restricted until

2037-12-31