2,3-吡啶二酸钙配合物的合成及其晶体结构与荧光性质

Synthesis,Crystal Structure and Fluorescence Property of Calcium Complex with 2,3-Pyridinedicarboxylic Acid

2,3-吡啶二酸(H2pdc)与CaCO3反应制得配合物[Ca2pdc2(H2O)8](1),其结构经IR,元素分析及X-射线单晶衍射表征。1属三斜晶系,空间群P-1,晶胞参数a=7.880 8(2),b=10.163 5(3),c=13.745 7(4),α=80.427(2)°,β=87.855(2)°,γ=88.563(2)°,V=1 084.69(5)3,Mr=554.50,Dc=1.698 g.cm-3,F(000)=288,μ=0.611 mm-1,Z=2,R=0.029 6,wR=0.085 0。1为之字形一维链结构,Ca(Ⅱ)中心采取七配位扭曲的五角双锥几何构型,配体pdc2-作为μ2-桥连结2个Ca(Ⅱ)形成一维链,通过O-H┈O氢键将一维链连结在一起形成二维层,进一步通过O-H┈O氢键将二维层结合在一起形成三维结构。研究了1的荧光性能,结果表明,在326 nm激发波长激发下,1的最大发射峰位于402 nm。

Calcium complex with 2,3-pyridinedicarboxylic acid（H2pdc）,Ca2pdc2（H2O）8（1）,was synthesized by the reaction of H2pdc with CaCO3.The structure was confirmed by IR,elemental analysis and X-ray single crystal diffraction.1 belongs to triclinic,space group P-1 with a=7.880 8（2）,b=10.163 5（3）,c=13.745 7（4）,α=80.427（2）°,β=87.855（2）°,γ=88.563（2）°,V=1 084.69（5） 3,Mr=554.50,Dc=1.698 g·cm-3,F（000）=288,μ=0.611 mm-1,Z=2,R=0.029 6,wR=0.085 0.1 is one-dimensional zigzag chain structure,in which the Ca（Ⅱ） takes seven-coordinated distorted pentagonal bipyramidal geometry.Each pdc2-anion acts as the μ2-bridging ligand.The two-dimensional layers are constructed through O-H┈O hydrogen bonds.The three-dimensional structure is formed by C-H┈O weak hydrogen bonding interactions.Fluorescence property of 1 was investigated.The results showed that the maximum peak of 1 is at 402 nm under 326 nm excitation.