Synthesis,crystal structure and photoluminescence of a novel tetra-nuclear calcium complex[{Ca(C15H8O7S)-(H2O)(DMSO)}3{Ca(C15H8O7S)(DMSO)2}]·4DMSO

作     者：ZHANG Zunting GUO Yaning LIU Qianguang 

作者机构：School of Chemistry and Materials Science Shaanxi Normal University Xi'an 710062 China School of Chemistry and Materials Science Shaanxi Normal University Xi'an 710062 China School of Chemistry and Materials Science Shaanxi Normal University Xi'an 710062 China 

出 版 物：《Science China Chemistry》 (中国科学（化学英文版）)

年 卷 期：2004年第47卷第5期

页      面：396-406页

核心收录：

学科分类：07[理学] 08[工学] 

基　　金：This work was supported by the Natural Science Foundation of Shaanxi Province(Grant No.2001K11-G5) 

主　　题：chrysin, sulfonation, tetra-nuclear calcium complex, crystal structure, photoluminescence. 

摘      要：The sulfonate derivate of chrysin coordinates with Ca2+ to form a novel tetra-nuclear calcium complex [(Ca(C15H8O7S)(H2O)(DMSO)3(Ca(C15H8O7S)(DMSO)2]·4DMSO. The structure of the complex is characterized by IR,1H NMR and X-ray single-crystal diffraction analysis. The results show that the complex crystallizes in triclinic, space group Pī, cell parametera = 1.4725(6) nm,b = 1.6480(7) nm,c = 2.1006(8) nm, α = 83.928(7)°, β= 85.938(7)°, γ= 85.212(7)°,V = 5.041(3) nm3,Dc = 1.476 g/cm3,Z = 2, μ=0.568 nm?1,F(000) = 2324,R = 0.0778,wR = 0.1821. In the complex, four Ca2+ which are bridged by four 5-hydroxyanion-7-dihydro-xyfla-vone-6-sulfonate ligands with their carbonyl and 5-hydroxyanion group build an approximate square. The coordination number of Ca2+ is 7 and the coordinated atoms are all oxygen from the carbonyl, hydroxyl and suflo-group of 5-hydroxyanion-7-hydroxyflavone-6-sulfonate, H2O and DMSO. Four ligands locate on two sides of the square. Two of them on the same side are almost paralleled and aromatic п-п stacking exists between them. Ligands on the opposite side are nearly perpendicular to each other. Meanwhile, the solid of title compound has the photoluminescent phenomenon. The title compound emits green fluorescence (λem = 520 nm) when it is excited at the wavelength of 410 nm and its photoluminescent mechanism is discussed.