Radical-Pair Formation in Hydrocarbon (Aut)Oxidation.
autoxidation
density functional calculations
hydrocarbons
peroxides
radicals
Journal
Chemistry (Weinheim an der Bergstrasse, Germany)
ISSN: 1521-3765
Titre abrégé: Chemistry
Pays: Germany
ID NLM: 9513783
Informations de publication
Date de publication:
26 Jun 2019
26 Jun 2019
Historique:
received:
26
03
2019
pubmed:
7
5
2019
medline:
7
5
2019
entrez:
7
5
2019
Statut:
ppublish
Résumé
The reaction profiles for the uni- and bimolecular decomposition of benzyl hydroperoxide have been studied in the context of initiation reactions for the (aut)oxidation of hydrocarbons. The unimolecular dissociation of benzyl hydroperoxide was found to proceed through the formation of a hydrogen-bonded radical-pair minimum located +181 kJ mol
Identifiants
pubmed: 31058373
doi: 10.1002/chem.201901415
doi:
Types de publication
Journal Article
Langues
eng
Pagination
8604-8611Subventions
Organisme : Deutsche Forschungsgemeinschaft
ID : SFB 749
Informations de copyright
© 2019 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.