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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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dc.contributor.author | Walton, John C | |
dc.date.accessioned | 2015-08-20T23:11:01Z | |
dc.date.available | 2015-08-20T23:11:01Z | |
dc.date.issued | 2014-10-28 | |
dc.identifier | 145525306 | |
dc.identifier | 3f3d35d4-ccf8-4203-90f4-a6c3db37099a | |
dc.identifier | 25179567 | |
dc.identifier | 84907487905 | |
dc.identifier | 000342992400015 | |
dc.identifier.citation | Walton , J C 2014 , ' The importance of chain conformational mobility during 5-exo-cyclizations of C-, N- and O-centred radicals ' , Organic & Biomolecular Chemistry , vol. 12 , no. 40 , pp. 7983-7992 . https://doi.org/10.1039/c4ob01419g | en |
dc.identifier.issn | 1477-0520 | |
dc.identifier.other | ORCID: /0000-0003-2746-6276/work/56638698 | |
dc.identifier.uri | https://hdl.handle.net/10023/7290 | |
dc.description | The author thanks the EPSRC (grant EP/I003479/1) and EaStCHEM for funding. | en |
dc.description.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 | |
dc.format.extent | 10 | |
dc.format.extent | 697277 | |
dc.language.iso | eng | |
dc.relation.ispartof | Organic & Biomolecular Chemistry | en |
dc.subject | QD Chemistry | en |
dc.subject.lcc | QD | en |
dc.title | The importance of chain conformational mobility during 5-exo-cyclizations of C-, N- and O-centred radicals | en |
dc.type | Journal article | en |
dc.contributor.sponsor | EPSRC | en |
dc.contributor.institution | University of St Andrews. School of Chemistry | en |
dc.contributor.institution | University of St Andrews. EaSTCHEM | en |
dc.identifier.doi | https://doi.org/10.1039/c4ob01419g | |
dc.description.status | Peer reviewed | en |
dc.date.embargoedUntil | 2015-08-21 | |
dc.identifier.grantnumber | EP/I003479/1 | en |
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