Observation of π-hole interactions in the solid state structures of three new copper(II) complexes with a tetradentate N₄ donor Schiff base: Exploration of their cytotoxicity against MDA-MB 468 cells

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• 作者：Samim Khan^a ; Abdulla Al Masum^b ; Md. Maidul Islam^b ; Michael G.B. Drew^c ; Antonio Bauzá ; ^d ; Antonio Frontera^d ; ^{toni.frontera@uib.es} ; Shouvik Chattopadhyay^a ; ^{shouvik.chem@gmail.com}
• 关键词：Copper(II) ; Schiff base ; Cytotoxicity ; π-Hole interactions ; DFT study
• 刊名：Polyhedron
• 出版年：2017
• 出版时间：17 February 2017
• 年：2017
• 卷：123
• 期：Complete
• 页码：334-343
• 全文大小：1953 K
• 卷排序：123

文摘

A new mononuclear copper(II) complex, [CuL(ClO4)2]·CH3CN (1) has been synthesized from a symmetrical tetradentate di-Schiff base, N,N′-bis(1-pyridin-2-yl-ethylidene)-2,2-dimethylpropane-1,3-diamine (L) and characterized by X-ray crystallography. Reactions of 1 separately with ammonium thiocyanate and sodium azide yielded [CuL(NCS)]ClO4 (2) and [CuL(N3)]ClO4 (3) respectively, both of which have also been characterized by single crystal X-ray diffraction analysis. The ability of the imidic CN bond of the metal-coordinated Schiff base ligand to interact with electron rich atoms in these complexes has also been studied by means of DFT calculations. The complexes showed high in vitro cytotoxic properties against MDA-MB 468 cells. The cells treated with these complexes gave bright green fluorescent light, indicating successful uptake of these complexes inside the nuclei of these cells.