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A bowl-shaped phenoxido-bridged binuclear zinc complex: experimental and theoretical studies

A new dinuclear zinc coordination complex with di(μ-alkoxido) bridge obtained from [[H2L = N,N-(salicyaldene)-1,3-diaminopropan-2-ol] was investigated by IR, 1H- & 13C NMR spectroscopy. Single crystal X-ray analysis reveals that the Zn1 atom in the title complex is five coordinated and bound to...

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Hauptverfasser: Azam, Mohammad (VerfasserIn) , Velmurugan, Gunasekaran (VerfasserIn) , Trzesowska-Kruszynska, Agata (VerfasserIn) , Al-Resayes, Saud I. (VerfasserIn) , Kruszynski, Rafal (VerfasserIn) , Venuvanalingam, Ponnambalam (VerfasserIn)
Dokumenttyp: Article (Journal)
Sprache:Englisch
Veröffentlicht: 19 January 2022
In: Inorganica chimica acta
Year: 2022, Jahrgang: 534, Pages: 1-10
ISSN:0020-1693
DOI:10.1016/j.ica.2022.120807
Online-Zugang:Verlag, lizenzpflichtig, Volltext: https://doi.org/10.1016/j.ica.2022.120807
Verlag, lizenzpflichtig, Volltext: https://www.sciencedirect.com/science/article/pii/S0020169322000196
Volltext
Verfasserangaben:Mohammad Azam, Gunasekaran Velmurugan, Agata Trzesowska-Kruszynska, Saud I. Al-Resayes, Rafal Kruszynski, Ponnambalam Venuvanalingam
Beschreibung
Zusammenfassung:A new dinuclear zinc coordination complex with di(μ-alkoxido) bridge obtained from [[H2L = N,N-(salicyaldene)-1,3-diaminopropan-2-ol] was investigated by IR, 1H- & 13C NMR spectroscopy. Single crystal X-ray analysis reveals that the Zn1 atom in the title complex is five coordinated and bound to two alkoxide atoms, two nitrogen atoms, and a chloride ion at apical position in distorted square pyramid geometry, while the second central cation, Zn2, is four coordinated and its O2Cl2 coordination environment is distorted tetrahedral. The single-crystal X-ray crystallographic measurements and DFT calculations reveal that the complex has a bowl-like structure. Hirschfeld surface analysis, energy frameworks QTAIM, NBO, and EDA analyses show clearly that the structure contains a variety of classical and non-classical interactions that help to extend the crystal net dimension. TGA is used to investigate the stability of the structure of the title complex.
Beschreibung:Gesehen am 13.05.2022
Beschreibung:Online Resource
ISSN:0020-1693
DOI:10.1016/j.ica.2022.120807

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