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: | , , , , , |
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| Dokumenttyp: | Article (Journal) |
| Sprache: | Englisch |
| Veröffentlicht: |
19 January 2022
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| 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 
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| Verfasserangaben: | Mohammad Azam, Gunasekaran Velmurugan, Agata Trzesowska-Kruszynska, Saud I. Al-Resayes, Rafal Kruszynski, Ponnambalam Venuvanalingam |
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| 245 | 1 | 2 | |a A bowl-shaped phenoxido-bridged binuclear zinc complex |b experimental and theoretical studies |c Mohammad Azam, Gunasekaran Velmurugan, Agata Trzesowska-Kruszynska, Saud I. Al-Resayes, Rafal Kruszynski, Ponnambalam Venuvanalingam |
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| 520 | |a 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. | ||
| 650 | 4 | |a Crystal structure | |
| 650 | 4 | |a DFT | |
| 650 | 4 | |a Dinuclear zinc complex | |
| 650 | 4 | |a Hirshfeld surface analysis | |
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| 700 | 1 | |a Venuvanalingam, Ponnambalam |e VerfasserIn |4 aut | |
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