Two Copper Complexes Based on Pyrazole- 3-carboxylic Acid as Heterogeneous Catalysts for Highly Selective Oxidation of Alkylbenzenes

分类： 化学 >> 物理化学 提交时间： 2017-11-05 合作期刊: 《结构化学》

JIANG Xiu-Yan RONG Nian-Xin QIAN Rui QIU Tian-Tian YAO Qing-Xia HUANG Xian-Qiang

摘要： Two new copper complexes based on pyrazole-3-carboxylic acid (H2pca) ligand, Cu(Hpca)2(H2O)2·2H2O (1) and Cu2(pca)2(H2O)4 (2) have been synthesized and fully characterized by single-crystal X-ray diffraction (SXRD), infrared spectroscopy (IR), thermal gravity analysis (TGA), powder X-ray diffraction (PXRD) and elemental analyses. Complex 1 is mononuclear while complex 2 shows a dinuclear structure. Complex 1 crystallizes in the monoclinic system, space group P21/c with Z = 2, a = 6.5591(5), b = 21.696(2), c = 4.9486(2) Å, V = 680.94(9) Å3, F(000) = 366, Dc = 1.745 g/cm3, μ = 1.650 mm-1, the final R = 0.0340 and wR = 0.0792. Complex 2 crystallizes in the monoclinic system, space group P21/n with Z = 2, a = 5.1935(4), b = 9.6052(7), c = 12.7347(9) Å, V = 634.44(8) Å3, F(000) = 420, Dc = 2.195 g/cm3, μ = 3.404 mm-1, the final R = 0.0305 and wR = 0.0653. The three-dimensional frameworks of two complexes are formed by the O−H···O and N−H···O hydrogen bonding interactions. Notably, two copper complexes are further used as catalysts in the oxidation of alkylbenzenes using t-butylhydroperoxide (TBHP) as the oxidant and they exhibit excellent catalytic performance (Conv. up to 98.9%, Sele. up to 98.7%).

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