引用本文:
郭鸿旭, 陈晨, 陈铃, 梁敏, 刘佳铭, 翁文. 一个四核铜配合物的水热合成、结构及荧光性质[J]. 应用化学,
2008, 25(6): 661-664.
Citation: GUO Hong-Xu, CHEN Chen, CHEN Ling, LIANG Min, LIU Jia-Ming, WENG Wen. Hydrothermal Synthesis,Structure and Fluorescent Properities of Tetranuclear Copper Complex[J]. Chinese Journal of Applied Chemistry, 2008, 25(6): 661-664.
Citation: GUO Hong-Xu, CHEN Chen, CHEN Ling, LIANG Min, LIU Jia-Ming, WENG Wen. Hydrothermal Synthesis,Structure and Fluorescent Properities of Tetranuclear Copper Complex[J]. Chinese Journal of Applied Chemistry, 2008, 25(6): 661-664.
一个四核铜配合物的水热合成、结构及荧光性质
摘要:
在水热条件下合成了标题配合物Cu4Cl4(bipy)2,经X射线衍射测定了配合物的晶体结构,晶体属三斜晶系,空间群为P-1,晶胞参数a=0.7437(2) nm,b=0.94299(4) nm,c=0.95088(4) nm,α=64.164(3)°,β=74.170(3)°,γ=88.757(3)°,V=0.57377(16) nm3,Z=1,Dx=2.050g/cm3,μ(MoKα)=4.139mm-1,F(000)=348,R1=0.0559,wR2=0.1625。该配合物由四核铜通过桥连氯连接形成平行四边形构型,其中存在明显的Cu…Cu键。固体荧光光谱研究表明,配合物在低能发射539和649 nm(红区)产生明显的发射峰。用G03w程序以HF/6-31G基组对四核配合物进行了量化计算,研究了电子结构和成键特征。
English
Hydrothermal Synthesis,Structure and Fluorescent Properities of Tetranuclear Copper Complex
Abstract:
The title complex[Cu4Cl4(bipy)2] was hydrothermally synthesized and its crystal structure was determined by X-ray diffraction.It belongs to triclinic system with space group P-1.The cell parameters are:a=0.743 7(2) nm,b=0.942 99(4) nm,c=0.950 88(4) nm,α=64.164(3)°,β=74.170(3)°,γ=88.757(3)°,V=0.573 77(16) nm3,Z=1,Dx=2.050 g/cm3,μ(MoKα)=4.139 mm-1,F(000)=348,R1=0.055 9,wR2=0.162 5.The title compound consists of molecular units constructed around a Cu4 parallelogram with obvious Cu…Cu bonds.The solid at room temperature exhibits intense red photoluminescence at 539 and 649 nm.Quantum chemistry calculations of the compound were performed with Guassian 03 program at HF/6-31G level to study the electronic structure and bonding characteristics.
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