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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.authorWalton, John C
dc.date.accessioned2015-08-20T23:11:01Z
dc.date.available2015-08-20T23:11:01Z
dc.date.issued2014-10-28
dc.identifier.citationWalton , 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/c4ob01419gen
dc.identifier.issn1477-0520
dc.identifier.otherPURE: 145525306
dc.identifier.otherPURE UUID: 3f3d35d4-ccf8-4203-90f4-a6c3db37099a
dc.identifier.otherPubMed: 25179567
dc.identifier.otherScopus: 84907487905
dc.identifier.otherORCID: /0000-0003-2746-6276/work/56638698
dc.identifier.otherWOS: 000342992400015
dc.identifier.urihttps://hdl.handle.net/10023/7290
dc.descriptionThe author thanks the EPSRC (grant EP/I003479/1) and EaStCHEM for funding.en
dc.description.abstractThe 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.extent10
dc.language.isoeng
dc.relation.ispartofOrganic & Biomolecular Chemistryen
dc.rights© 2014. The Royal Society of Chemistry. This is an Accepted Manuscript of an article published in the Organic and Biomolecular Chemistry on 2 Sept 2014, available online: http://pubs.rsc.org/en/Content/ArticleLanding/2014/OB/C4OB01419G#!divAbstract. Systematic or multiple reproduction or distribution to multiple locations via electronic or other means is prohibited.en
dc.subjectQD Chemistryen
dc.subject.lccQDen
dc.titleThe importance of chain conformational mobility during 5-exo-cyclizations of C-, N- and O-centred radicalsen
dc.typeJournal articleen
dc.contributor.sponsorEPSRCen
dc.description.versionPostprinten
dc.contributor.institutionUniversity of St Andrews. School of Chemistryen
dc.contributor.institutionUniversity of St Andrews. EaSTCHEMen
dc.identifier.doihttps://doi.org/10.1039/c4ob01419g
dc.description.statusPeer revieweden
dc.date.embargoedUntil2015-08-21
dc.identifier.grantnumberEP/I003479/1en


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