Experimental and theoretical studies on the reactivities of partially and fully fluorinated primary alkyl radicals

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DOIResolve DOI: http://doi.org/10.1016/S0040-4020(97)00332-3
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TypeArticle
Journal titleTetrahedron
ISSN0040-4020
Volume53
Issue29
Pages98579880; # of pages: 24
Subjectfluorinated hydrocarbon; organofluorine derivative; article; calculation; drug synthesis; electricity; in vitro study; pressure; priority journal; quantum chemistry; reaction analysis; temperature; theoretical study; thermodynamics
AbstractAbsolute rate constants for hydrogen abstraction from n-Bu3SnH by a number of partially-fluorinated and fully fluorinated n-alkyl radicals have been measured. The C-H and C-C bond dissociation energies for a number of pertinent hydrofluorocarbons have been calculated by DFT. The rate data are compared with those for addition of the same radicals to styrene, and the reactivities of these radicals are discussed in terms of their electronegativies, their structure and the thermodynamics of their reactions.
Publication date
LanguageEnglish
AffiliationNational Research Council Canada (NRC-CNRC)
Peer reviewedYes
NPARC number21276503
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Record identifier1ab725d1-e85c-441b-b257-5b7ba977a2ed
Record created2015-10-13
Record modified2016-05-09
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