Cu(Im)4(p-CH3C6H4SO3)2 was prepared by solvent thermal synthesis using copper nitrate trihydrate,sodium p-methylbenzenesulfonate(p-CH3C6H4SO3Na)and imidazole(Im)as raw materials.It was characterized by means of single crystal X-ray diffraction,infrared spectroscopy,thermogravimetric analysis,nitrogen adsorption/desorption analysis and powder X-ray diffraction.By single crystal X-ray diffraction analysis,it could be seen that the center Cu2+of the complex was coordinated with O atoms in two p-methylbenzenesulfonate anions and N atoms in four imidazoles to form a three-dimensional network structure by intermolecular hydrogen bonding force.The Knoevenagel condensation reaction was used as a probe to investigate the catalytic activity of the complex.The results showed that the complex exhibited acid-base synergistic catalysis in the Knoevenagel condensation reaction.The reaction time was short,the products yields were high,and the catalyst could be reused many times.Finally,the activity sites and reaction sites of Cu(Im)4(p-CH3C6H4SO3)2,benzaldehyde and malononitrile were predicted by density functional theory(DFT)and verified by X-ray photoelectron spectroscopy,and the possible catalytic mechanism was deduced.
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