Show simple item record

Files in this item

Thumbnail

Item metadata

dc.contributor.authorHosseini, Samireh
dc.contributor.authorMardani, Zahra
dc.contributor.authorMoeini, Keyvan
dc.contributor.authorCarpenter-Warren, Cameron
dc.contributor.authorSlawin, Alexandra M.Z.
dc.contributor.authorWoollins, J. Derek
dc.date.accessioned2021-02-04T00:39:24Z
dc.date.available2021-02-04T00:39:24Z
dc.date.issued2020-02-25
dc.identifier.citationHosseini , S , Mardani , Z , Moeini , K , Carpenter-Warren , C , Slawin , A M Z & Woollins , J D 2020 , ' A binuclear Cd(II) complex containing bridging pyrimidine-based ligands ' , Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences , vol. 75 , no. 3 , 6 , pp. 287-293 . https://doi.org/10.1515/znb-2019-0193en
dc.identifier.issn0932-0776
dc.identifier.otherPURE: 266738647
dc.identifier.otherPURE UUID: c68dd004-35ef-4747-a393-455d43b18b17
dc.identifier.otherScopus: 85079603498
dc.identifier.otherORCID: /0000-0002-9527-6418/work/70233874
dc.identifier.otherORCID: /0000-0002-1498-9652/work/70233880
dc.identifier.otherWOS: 000523565600006
dc.identifier.urihttp://hdl.handle.net/10023/21371
dc.description.abstractIn this work, a pyrimidine-based ligand, N′-(amino(pyrimidin-2-yl)methylene)pyrimidine-2-carbohydrazonamide hydrate (APPH · H2O), and its binuclear complex of cadmium, [Cd(μ-APPH)Br]2, 1, were prepared and identified by elemental analysis, FT-IR, 1H NMR spectroscopy as well as single-crystal X-ray diffraction. X-ray structure analysis of 1 revealed octahedrally coordinated cadmium centers with a CdN4Br2 environment containing two bridging APPH ligands; each APPH ligand acts as an N4-donor (N2-donor toward each cadmium atom) and forms two five-membered chelate rings that are approximately perpendicular to each other. In the network of 1, the N–H · · · Br hydrogen bonds form motifs such as R22(12, 14), R66(24, 26, …, 46). The crystal network is further stabilized by π-π stacking interactions between pyrimidine rings. The optimized structures of the ligand and complex were investigated along with their charge distribution patterns by density functional theory and natural bond orbital analysis, respectively.
dc.language.isoeng
dc.relation.ispartofZeitschrift fur Naturforschung - Section B Journal of Chemical Sciencesen
dc.rightsCopyright ©2020 Walter de Gruyter GmbH, Berlin/Boston. 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 final published version of the work, which was originally published at https://doi.org/10.1515/znb-2019-0193en
dc.subjectBinuclearen
dc.subjectBromideen
dc.subjectCadmium(II) complexen
dc.subjectDFTen
dc.subjectPyrimidineen
dc.subjectQD Chemistryen
dc.subjectChemistry(all)en
dc.subjectDASen
dc.subject.lccQDen
dc.titleA binuclear Cd(II) complex containing bridging pyrimidine-based ligandsen
dc.typeJournal articleen
dc.description.versionPublisher PDFen
dc.contributor.institutionUniversity of St Andrews.School of Chemistryen
dc.contributor.institutionUniversity of St Andrews.EaSTCHEMen
dc.identifier.doihttps://doi.org/10.1515/znb-2019-0193
dc.description.statusPeer revieweden
dc.date.embargoedUntil2021-02-04


This item appears in the following Collection(s)

Show simple item record