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

Abstract

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.

Keywords

• Inorganic chemistry
• Theoretical chemistry
• Saloxime based Cu(II) complex
• Synthesis and crystal structure determination
• Supramolecular interaction
• UV-Vis spectral studies