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dc.contributor.authorNejman, Phillip
dc.contributor.authorCurzon, Thomasine Emily
dc.contributor.authorBuehl, Michael
dc.contributor.authorMcKay, David
dc.contributor.authorWoollins, J Derek
dc.contributor.authorAshbrook, Sharon E.
dc.contributor.authorCordes, David Bradford
dc.contributor.authorSlawin, Alexandra Martha Zoya
dc.contributor.authorKilian, Petr
dc.date.accessioned2021-04-08T23:49:58Z
dc.date.available2021-04-08T23:49:58Z
dc.date.issued2020-04-09
dc.identifier.citationNejman , P , Curzon , T E , Buehl , M , McKay , D , Woollins , J D , Ashbrook , S E , Cordes , D B , Slawin , A M Z & Kilian , P 2020 , ' Phosphorus‒bismuth peri -substituted acenaphthenes : a synthetic, structural and computational study ' , Inorganic Chemistry , vol. Article ASAP . https://doi.org/10.1021/acs.inorgchem.0c00317en
dc.identifier.issn0020-1669
dc.identifier.otherPURE: 267188305
dc.identifier.otherPURE UUID: d73c2df2-caca-4add-b607-ad2cca372e7a
dc.identifier.otherORCID: /0000-0002-1095-7143/work/71954858
dc.identifier.otherORCID: /0000-0001-6379-3026/work/71954864
dc.identifier.otherORCID: /0000-0002-9527-6418/work/71954867
dc.identifier.otherORCID: /0000-0002-1498-9652/work/71954934
dc.identifier.otherORCID: /0000-0002-5366-9168/work/71954938
dc.identifier.otherORCID: /0000-0002-4538-6782/work/71954982
dc.identifier.otherORCID: /0000-0003-0362-7848/work/71955514
dc.identifier.otherScopus: 85083305568
dc.identifier.otherWOS: 000526885800043
dc.identifier.urihttp://hdl.handle.net/10023/22991
dc.descriptionThis work was financially supported by the Engineering and Physical Sciences Research Council (EPSRC). This included PhD studentship to TEC (Centre for Doctoral Training in Critical Resource Catalysis (CRITICAT), Grant code: EP/L016419/1) and to PN (Grant code EP/L505079/1). The authors would like to thank COST action SM1302 SIPs; the EPSRC UK National Mass Spectrometry Facility at Swansea University for the acquisition and processing of Mass Spectrometry Data and to EaStCHEM and the School of Chemistry for support.en
dc.description.abstractA series of acenaphthene species with a diisopropylphosphino group and a variety of bismuth functionalities in the peri-positions were synthesised and fully characterised, including single crystal X–ray diffraction. The majority of the reported species feature a relatively rare interpnictogen P−Bi bond. The series includes the phosphine¬−bismuthine, Acenap(PiPr2)(BiPh2) 2 (Acenap = acenaphthene-5,6-diyl), which was subjected to a fluorodearylation reaction to produce Acenap(PiPr2)(BiPhX) 5−8 and 10 (X = BF4-, Cl, Br, I, SPh), displaying varying degrees of ionicity. The geminally bis(acenaphthyl) substituted [Acenap(PiPr2)2]BiPh 3 shows a large through-space coupling of 17.8 Hz, formally 8TSJPP. Coupling deformation density (CDD) calculations confirm the double through-space coupling pathway, in which the P and Bi lone pairs mediate communication between the two 31P nuclei. Several synthetic routes towards the phosphine−diiodobismuthine Acenap(PiPr2)(BiI2) 9 have been investigated, however the purity of this, surprisingly thermally stable potential synthon, remains poor.
dc.language.isoeng
dc.relation.ispartofInorganic Chemistryen
dc.rightsCopyright © 2020 American Chemical Society. This work has been made available online in accordance with publisher policies or with permission. Permission for further reuse of this content should be sought from the publisher or the rights holder. This is the author created accepted manuscript following peer review and may differ slightly from the final published version. The final published version of this work is available at https://doi.org/10.1021/acs.inorgchem.0c00317en
dc.subjectQD Chemistryen
dc.subjectDASen
dc.subject.lccQDen
dc.titlePhosphorus‒bismuth peri-substituted acenaphthenes : a synthetic, structural and computational studyen
dc.typeJournal articleen
dc.description.versionPostprinten
dc.description.versionPostprinten
dc.contributor.institutionUniversity of St Andrews.EaSTCHEMen
dc.contributor.institutionUniversity of St Andrews.School of Chemistryen
dc.identifier.doihttps://doi.org/10.1021/acs.inorgchem.0c00317
dc.description.statusPeer revieweden
dc.date.embargoedUntil2021-04-09


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