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The importance of chain conformational mobility during 5-exo-cyclizations of C-, N- and O-centred radicals

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Abstract

The reaction coordinates of an archetypical set of 5-exo cyclizations of C-, N- and O-centred radicals were investigated by computational methods. G4 theory, and DFT with the um062x functional, were able to rationalise counterintuitive factors such as the 'normal' order of rate constants being: N-centred
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Original languageEnglish
Pages (from-to)7983-7992
Number of pages10
JournalOrganic & Biomolecular Chemistry
Volume12
Issue number40
Early online date21 Aug 2014
DOIs
StatePublished - 28 Oct 2014

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