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dc.contributor.authorSanz Camacho, Paula
dc.contributor.authorAthukorala Arachchige, Kasun Sankalpa
dc.contributor.authorSlawin, Alexandra Martha Zoya
dc.contributor.authorGreen, Timothy F.G.
dc.contributor.authorYates, Jonathan R.
dc.contributor.authorDawson, Daniel McLean
dc.contributor.authorWoollins, J Derek
dc.contributor.authorAshbrook, Sharon Elizabeth
dc.date.accessioned2016-04-29T23:32:21Z
dc.date.available2016-04-29T23:32:21Z
dc.date.issued2015-05-20
dc.identifier.citationSanz Camacho , P , Athukorala Arachchige , K S , Slawin , A M Z , Green , T F G , Yates , J R , Dawson , D M , Woollins , J D & Ashbrook , S E 2015 , ' Unusual intermolecular “through-space” J couplings in P–Se heterocycles ' , Journal of the American Chemical Society , vol. 137 , no. 19 , pp. 6172-6175 . https://doi.org/10.1021/jacs.5b03353en
dc.identifier.issn0002-7863
dc.identifier.otherPURE: 184624242
dc.identifier.otherPURE UUID: b7978231-2993-4a6d-9448-a5fad5c1ca00
dc.identifier.otherScopus: 84930226094
dc.identifier.otherORCID: /0000-0002-4538-6782/work/56638999
dc.identifier.otherORCID: /0000-0002-9527-6418/work/56862113
dc.identifier.otherORCID: /0000-0002-1498-9652/work/31779178
dc.identifier.otherORCID: /0000-0002-8110-4535/work/34029115
dc.identifier.otherWOS: 000355053100016
dc.identifier.urihttp://hdl.handle.net/10023/8711
dc.descriptionThe authors are grateful to EPSRC for financial support (EP/J010510/1, EP/J501542/1, EP/F018096/1) and the award of a studentship.en
dc.description.abstractSolid-state NMR spectra of new P–Se heterocycles based on peri-substituted naphthalene motifs show the presence of unusual J couplings between Se and P. These couplings are between atoms in adjacent molecules and occur “through space”, rather than through conventional covalent bonds. Experimental measurements are supported by relativistic DFT calculations, which confirm the presence of couplings between nonbonded atoms, and provide information on the pathway of the interaction. This observation improves the understanding of J couplings and offers insight into the factors that affect crystal packing in solids, for future synthetic exploitation.
dc.format.extent4
dc.language.isoeng
dc.relation.ispartofJournal of the American Chemical Societyen
dc.rightsCopyright © 2015 American Chemical Society. This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of the American Chemical Society, copyright © American Chemical Society, after peer review and technical editing by the publisher. To access the final edited and published work see: http://dx.doi.org/10.1021/jacs.5b03353en
dc.subjectQD Chemistryen
dc.subjectDASen
dc.subjectBDCen
dc.subjectR2Cen
dc.subject.lccQDen
dc.titleUnusual intermolecular “through-space” J couplings in P–Se heterocyclesen
dc.typeJournal articleen
dc.description.versionPostprinten
dc.contributor.institutionUniversity of St Andrews.School of Chemistryen
dc.contributor.institutionUniversity of St Andrews.EaSTCHEMen
dc.contributor.institutionUniversity of St Andrews.Office of the Principalen
dc.identifier.doihttps://doi.org/10.1021/jacs.5b03353
dc.description.statusPeer revieweden
dc.date.embargoedUntil2016-04-30
dc.identifier.urlhttp://pubs.acs.org/doi/suppl/10.1021/jacs.5b03353en


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