A simple Cu(II) complex of phenolic oxime: synthesis, crystal structure, supramolecular interactions, DFT calculation and catecholase activity study

Autor: Malay Dolai, Urmila Saha
Jazyk: angličtina
Rok vydání: 2020
Předmět:
Zdroj: Heliyon, Vol 6, Iss 10, Pp e04942- (2020)
Druh dokumentu: article
ISSN: 2405-8440
DOI: 10.1016/j.heliyon.2020.e04942
Popis: A copper (II) complex [Cu(4-MeO-salox)2](1) based on saloxime ligand was synthesized and characterized using single crystal X-ray diffraction studies. The geometry was further emphasized by DFT optimization. The complex was found to be pseudo-macrocyclic mononuclear having square planer geometry. The complex 1 shows two types of supramolecular hydrogen bonding interactions and forms the multi-dimensional framework with the help of CH∙∙∙O, OH∙∙∙O and π∙∙∙π(chelate) interactions. The complex 1 performs as efficient catalyst in catecholase activiy having good turnover number (TON), kcat = 22.97 h−1 where TON is the number of catechol molecules converted into quinone by catalyst molecule i.e 1 in a unit time.
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