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dc.contributor.authorBurnett, Stuart
dc.contributor.authorde Vere-Tucker, Matthew
dc.contributor.authorDavitt, Matthew
dc.contributor.authorCordes, David B.
dc.contributor.authorSlawin, Alexandra M. Z.
dc.contributor.authorFerns, Rochelle
dc.contributor.authorvan Mourik, Tanja
dc.contributor.authorStasch, Andreas
dc.date.accessioned2022-08-05T10:30:04Z
dc.date.available2022-08-05T10:30:04Z
dc.date.issued2022-08-04
dc.identifier.citationBurnett , S , de Vere-Tucker , M , Davitt , M , Cordes , D B , Slawin , A M Z , Ferns , R , van Mourik , T & Stasch , A 2022 , ' Magnesium complexes with isomeric pyrazol-4-ylidene and imidazol-2-ylidene ligands ' , Zeitschrift für Anorganische und Allgemeine Chemie , vol. Early View , e202200207 . https://doi.org/10.1002/zaac.202200207en
dc.identifier.issn0044-2313
dc.identifier.otherPURE: 280604794
dc.identifier.otherPURE UUID: 1a393980-8253-498a-aeb3-1661da14c0b6
dc.identifier.otherORCID: /0000-0002-9527-6418/work/116910246
dc.identifier.otherORCID: /0000-0002-5366-9168/work/116910294
dc.identifier.otherORCID: /0000-0001-7683-3293/work/116910300
dc.identifier.otherORCID: /0000-0002-7407-8287/work/116910441
dc.identifier.urihttp://hdl.handle.net/10023/25780
dc.descriptionAuthors thank the University of St Andrews, the EPSRC doctoral training grant (EP/N509759/1), and the Centre for Doctoral Training in Critical Resource Catalysis (CRITICAT, EP/ L016419/1) for support. Part of this research was undertaken on the MX1 beamline at the Australian Synchrotron, Victoria, Australia. We gratefully acknowledge computational support via the EaStCHEM Research Computing Facility.en
dc.description.abstractDimagnesium(I) complexes [{(Arnacnac)Mg}2], where Arnacnac = HC(MeCNAr)2, Ar = Dip = 2,6-iPr2-C6H3, Ar = Dep = 2,6-Et2-C6H3, Ar = Mes = 2,4,6-Me3-C6H2, react with iodoarenes in oxidative addition reactions. With iodobenzene, magnesium phenyl and magnesium iodide complex fragments were obtained, and from a reaction with 4-iodo-1,2,3,5-tetramethylpyrazolium iodide, [MePZI]I, the pyrazol-4-ylidene complex [(Dipnacnac)MgI(MePZ)] was structurally characterised, alongside other products. The isomeric imidazol-2-ylidene complex [(Dipnacnac)MgI(MeNHC)], where MeNHC is 1,3,4,5-tetramethylimidazol-2-ylidene, was prepared and characterised. X-ray crystal structure determinations and DFT computational studies have been carried out to compare the related complexes. The results show that the MePZ ligand is higher in energy and more nucleophilic than its more common isomeric MeNHC carbene.
dc.format.extent25
dc.language.isoeng
dc.relation.ispartofZeitschrift für Anorganische und Allgemeine Chemieen
dc.rightsCopyright © 2022 The Authors. Zeitschrift für anorganische und allgemeine Chemie published by Wiley-VCH GmbH. This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.en
dc.subjectMagnesiumen
dc.subjectCarbenesen
dc.subjectLow oxidation statesen
dc.subjectBent allenesen
dc.subjectGrignard reagentsen
dc.subjectQD Chemistryen
dc.subjectDASen
dc.subject.lccQDen
dc.titleMagnesium complexes with isomeric pyrazol-4-ylidene and imidazol-2-ylidene ligandsen
dc.typeJournal articleen
dc.contributor.sponsorEPSRCen
dc.description.versionPublisher PDFen
dc.contributor.institutionUniversity of St Andrews. School of Chemistryen
dc.contributor.institutionUniversity of St Andrews. EaSTCHEMen
dc.contributor.institutionUniversity of St Andrews. Centre for Research into Equality, Diversity & Inclusionen
dc.identifier.doihttps://doi.org/10.1002/zaac.202200207
dc.description.statusPeer revieweden
dc.identifier.grantnumberEP/L016419/1en


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