New insights into the mechanism of amine/nitroxide cycling during the hindered amine light stabilizer inhibited oxidative degradation of polymers
| dc.contributor.author | Gryn'ova, Ganna | |
| dc.contributor.author | Ingold, Keith U | |
| dc.contributor.author | Coote, Michelle | |
| dc.date.accessioned | 2015-12-07T22:14:34Z | |
| dc.date.issued | 2012 | |
| dc.date.updated | 2016-02-24T11:43:12Z | |
| dc.description.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 | |
| dc.identifier.issn | 0002-7863 | |
| dc.identifier.uri | http://hdl.handle.net/1885/17486 | |
| dc.publisher | American Chemical Society | |
| dc.source | Journal of the American Chemical Society | |
| dc.subject | 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; | |
| dc.title | New insights into the mechanism of amine/nitroxide cycling during the hindered amine light stabilizer inhibited oxidative degradation of polymers | |
| dc.type | Journal article | |
| local.bibliographicCitation.issue | 31 | |
| local.bibliographicCitation.lastpage | 12988 | |
| local.bibliographicCitation.startpage | 12979 | |
| local.contributor.affiliation | Gryn'ova, Ganna, College of Physical and Mathematical Sciences, ANU | |
| local.contributor.affiliation | Ingold, Keith U, National Research Council of Canada | |
| local.contributor.affiliation | Coote, Michelle, College of Physical and Mathematical Sciences, ANU | |
| local.contributor.authoruid | Gryn'ova, Ganna, u4768988 | |
| local.contributor.authoruid | Coote, Michelle, u4031074 | |
| local.description.embargo | 2037-12-31 | |
| local.description.notes | Imported from ARIES | |
| local.identifier.absfor | 030305 - Polymerisation Mechanisms | |
| local.identifier.absfor | 030701 - Quantum Chemistry | |
| local.identifier.absseo | 970103 - Expanding Knowledge in the Chemical Sciences | |
| local.identifier.absseo | 860606 - Plastics in Primary Forms | |
| local.identifier.ariespublication | u8801298xPUB1 | |
| local.identifier.citationvolume | 134 | |
| local.identifier.doi | 10.1021/ja3006379 | |
| local.identifier.scopusID | 2-s2.0-84864704522 | |
| local.identifier.thomsonID | 000307210900021 | |
| local.type.status | Published Version |
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