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dc.contributor.authorGouid, Zied
dc.contributor.authorSanhoury, M. A. K.
dc.contributor.authorSaid, R. Ben
dc.contributor.authorCarpenter-Warren, Cameron L.
dc.contributor.authorSlawin, Alexandra M. Z.
dc.contributor.authorDhia, M. T. Ben
dc.contributor.authorWoollins, J. Derek
dc.contributor.authorBoughdiri, S.
dc.date.accessioned2018-12-22T00:34:41Z
dc.date.available2018-12-22T00:34:41Z
dc.date.issued2017-12-22
dc.identifier.citationGouid , Z , Sanhoury , M A K , Said , R B , Carpenter-Warren , C L , Slawin , A M Z , Dhia , M T B , Woollins , J D & Boughdiri , S 2017 , ' Synthesis, characterization, structures, and DFT study of zinc(II) complexes with tributylphosphine chalcogenides ' , Journal of Coordination Chemistry , vol. 70 , no. 23 , pp. 3859-3870 . https://doi.org/10.1080/00958972.2017.1416357en
dc.identifier.issn0095-8972
dc.identifier.otherPURE: 251521099
dc.identifier.otherPURE UUID: 7cd90f41-0de9-4889-aa5b-ee62139cdfbd
dc.identifier.otherScopus: 85038876337
dc.identifier.otherORCID: /0000-0002-9527-6418/work/56861416
dc.identifier.otherORCID: /0000-0002-1498-9652/work/59464663
dc.identifier.otherWOS: 000423127700003
dc.identifier.urihttp://hdl.handle.net/10023/16757
dc.descriptionThe authors are grateful to the Tunisian Ministry of High Education and Scientific Research for financial support (LR99ES14) of this research.en
dc.description.abstractFour new zinc(II) complexes of the type [ZnCl2(n-Bu3PE)2] (E = O ( 1 ), S ( 2 ), Se ( 3 ) or Te ( 4 )) have been synthesized from zinc(II) chloride and the ligands n-Bu3PE giving yields of 56-88%. The adducts were characterized by multinuclear (31P, 13C and 77Se) NMR, conductivity, IR spectroscopy and by X-ray analyses. The zinc complexes 1 – 4 are comprised of two ligands coordinated to the metal centre in a distorted tetrahedral arrangement. The P=E bond lengths of 1.497(7) (E = O), 2.000(4) (E = S) and 2.178(2) Å (E = Se) in these complexes are slightly elongated compared to those in the free ligand. In addition, a DFT/B3LYP theoretical study on the geometry optimization of the title ligands and their zinc complexes has been carried out in order to support and complement the experimental data and to further investigate the nature of the chalcogenide-metal interaction. The results show good agreement between the experimental and theoretical data.
dc.format.extent21
dc.language.isoeng
dc.relation.ispartofJournal of Coordination Chemistryen
dc.rights© 2017 Informa UK Limited, trading as Taylor & Francis Group. This work has been made available online in accordance with the publisher’s policies. This is the author created accepted version manuscript following peer review and as such may differ slightly from the final published version. The final published version of this work is available at https://doi.org/10.1080/00958972.2017.1416357en
dc.subjectPhosphine chalcogenideen
dc.subjectZinc(II) complexen
dc.subjectStructural studyen
dc.subjectNMRen
dc.subjectDFT/B3LYPen
dc.subjectQD Chemistryen
dc.subjectDASen
dc.subject.lccQDen
dc.titleSynthesis, characterization, structures, and DFT study of zinc(II) complexes with tributylphosphine chalcogenidesen
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/10.1080/00958972.2017.1416357
dc.description.statusPeer revieweden
dc.date.embargoedUntil2018-12-22


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