Structural and Computational Studies of Intra- and Intermolecular Interactions in Some New Chloro- and Nitro-cobaloxime Complexes

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Alikhah Asl, Shervin | 2020

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Type of Document: M.Sc. Thesis
Language: Farsi
Document No: 53220 (03)
University: Sharif University of Technology
Department: Chemistry
Advisor(s): Kia, Reza
Abstract:
In this study, a number of chloro and nitro cobaloxime complexes with triphenylarsine and triphenylstibine synthesized from dichloro precursor and their structure were studied. These complexes were identified by FT-IR and 1H-NMR methods also their solid state structure studied by X-ray crystallography of single crystals. Intramolecular interactions of these complexes analyzed and studied by NCIPLOT 3.0 and VMD 1.9.3 programs which has different kind of intramolecular interactions which can be identified by their colors. All these complexes have strong hydrogen bond between hydrogen of oxime group and oxygen of other dimethylglyoxime ligand. Also coordinate covalent bond among ligands and metals were observed. With these achievements, new complexes can be introduced for practical aims such as catalytic researches. Studying of these interactions give promising insights to research mechanisms of this group catalysis and their effects on forming up the crystal structure
Keywords:
Cobaloxime Complexe ; Intramolecular Interactions ; Dimethylglyoxime ; Intermolecular Interactions ; Structural Studies ; Computational Studies

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