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Comparison of the Kinetics and Thermodynamics for Methyl Radical Addition to C=C, C=O, and C=S Double Bonds

Henry, David; Coote, Michelle; Gomez-Balderas, Rodolfo; Radom, Leo

Description

The barriers, enthalpies, and rate constants for the addition of methyl radical to the double bonds of a selection of alkene, carbonyl, and thiocarbonyl species (CH2=Z, CH3CH=Z, and (CH 3)2C=Z, where Z = CH2, O, or S) and for the reverse β-scission react

dc.contributor.authorHenry, David
dc.contributor.authorCoote, Michelle
dc.contributor.authorGomez-Balderas, Rodolfo
dc.contributor.authorRadom, Leo
dc.date.accessioned2015-12-13T23:07:55Z
dc.identifier.issn0002-7863
dc.identifier.urihttp://hdl.handle.net/1885/86414
dc.description.abstractThe barriers, enthalpies, and rate constants for the addition of methyl radical to the double bonds of a selection of alkene, carbonyl, and thiocarbonyl species (CH2=Z, CH3CH=Z, and (CH 3)2C=Z, where Z = CH2, O, or S) and for the reverse β-scission react
dc.publisherAmerican Chemical Society
dc.sourceJournal of the American Chemical Society
dc.subjectKeywords: Chemical bonds; Enthalpy; Mathematical models; Olefins; Phase transitions; Rate constants; Substrates; Contrathermodynamic reactions; Reaction barriers; Methanol; alkene; carbon; carbonyl derivative; methyl group; oxygen; radical; sulfur; thiocarbonyl der
dc.titleComparison of the Kinetics and Thermodynamics for Methyl Radical Addition to C=C, C=O, and C=S Double Bonds
dc.typeJournal article
local.description.notesImported from ARIES
local.description.refereedYes
local.identifier.citationvolume126
dc.date.issued2004
local.identifier.absfor030799 - Theoretical and Computational Chemistry not elsewhere classified
local.identifier.absfor030505 - Physical Organic Chemistry
local.identifier.ariespublicationMigratedxPub15295
local.type.statusPublished Version
local.contributor.affiliationHenry, David, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationCoote, Michelle, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationGomez-Balderas, Rodolfo, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationRadom, Leo, College of Physical and Mathematical Sciences, ANU
local.description.embargo2037-12-31
local.bibliographicCitation.issue6
local.bibliographicCitation.startpage1732
local.bibliographicCitation.lastpage1740
local.identifier.doi10.1021/ja039139a
dc.date.updated2015-12-12T08:11:21Z
local.identifier.scopusID2-s2.0-1242314249
CollectionsANU Research Publications

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