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Modelling reaction kinetics of distonic radical ions: a systematic investigation of phenyl-type radical addition to unsaturated hydrocarbons

Authors :
Oisin J. Shiels
Jack A. Turner
P. D. Kelly
Stephen J. Blanksby
Gabriel da Silva
Adam J. Trevitt
Source :
Faraday discussions. 238
Publication Year :
2022

Abstract

Gas phase ion-molecule reactions are central to chemical processes across many environments. A feature of many of these reactions is an inverse relationship between temperature and reaction rate arising from a submerged barrier (an early reaction barrier that is below the energy of the separated reactants), which often arises due to a stable pre-reactive complex. While the thermodynamics and kinetics of many ion-molecule reactions have been extensively modelled, the reaction kinetics of ion-molecule reactions involving radical ions are less explored. In this investigation, the target reactions involve distonic radical ions, where the charge and radical moieties are separated within the molecular structure. Experimental rate coefficients for the reaction of either C

Details

ISSN :
13645498
Volume :
238
Database :
OpenAIRE
Journal :
Faraday discussions
Accession number :
edsair.doi.dedup.....4837a7bdc612574dfe9877700932121c