Crystal structure, Hirshfeld surface analysis and theoretical calculations of an oxalato‑bridged copper(II) complex: μ‑oxalato‑bis[(2,2’‑bipyridine) hydrate copper(II) nitrate]

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dc.contributor.authorZina Boutobba
dc.date.accessioned2024-02-15T07:53:09Z
dc.date.available2024-02-15T07:53:09Z
dc.date.issued2019-11-15
dc.description.abstractThefcopperfcomplexff[Cu (Bipy) ]f (Bipyf=f2,2′-bipyridine;f C f=foxalate)fhasfbeenfsynthesizedfandf characterizedfbyfsingle-crystalfX-rayfdiiractionfandfFTIRfspectroscopy.fThefstructurefdeterminationfrevealedfthatftheftitlef compoundfcontainsfcentrosymmetricfdoublyfchargedfdinuclearfoxalato-bridgedfcopper(II)fcomplexfcations,fnitratefcounterf ionsfandfwaterfmolecules.fInfthisfcomplex,fthefoxalatefligandfisfcoordinatedfinfafbis-bidentatefbridgingfmodeftofthefcopperf atoms.fEachfCu(II)fatomfhasfafdistortedftetragonal–bipyramidalfenvironment,fbeingfcoordinatedfbyftwofNfatomsfoffafchelatingf2,2′-bipyridinefligandfandftwofOfatomsfoffthefdoublyfdeprotonatedfoxalatefanion.fPairsfoffmonodentatefnitratefanionsf andfaquafligandsfareflinkedftofthefmetallicfcationsfinfanfaxialfposition.fThefH-bondsfoccurringfinfthefcrystalfstructurefresultf infthefformationfoff2Dfsupramolecularfchainsfandf3Dfnetworks.fThefHirshfeldfsurfacefanalysisfoffthefcomplexfhasfshownf thefpresencefoffstrongfO–H…OfandfC–H…Ofhydrogenfbondsftogetherfwithfnon-classicalfweakfC–H…±,f±…±,f±…lp/lp…±f andflpf…lpfinteractions.fFurthermore,ftheftheoreticalfcalculationsfresultsfarefinfagreementfwithfthefexperimentalfgeometricf parameters.fThefNMRfspectrafandfthefMEPfmapsfwerefalsofcalculated.
dc.identifier.urihttp://dspace.univ-khenchela.dz:4000/handle/123456789/1081
dc.language.isoen
dc.titleCrystal structure, Hirshfeld surface analysis and theoretical calculations of an oxalato‑bridged copper(II) complex: μ‑oxalato‑bis[(2,2’‑bipyridine) hydrate copper(II) nitrate]
dc.title.alternativeCrystal structure, Hirshfeld surface analysis and theoretical calculations of an oxalato‑bridged copper(II) complex: μ‑oxalato‑bis[(2,2’‑bipyridine) hydrate copper(II) nitrate]
dc.typeArticle
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