三维超分子化合物[2-(3-pyridyl)benzimidazoleH_2]_2^(4+)·[Cd_2Cl_8]^(4-)的水热合成、晶体结构及发光性质

Hydrothermal Synthesis,Crystal Structure and Photoluminescence Property of 3D Supermolecular Compound [2-(3-pyridyl)benzimidazoleH_2]_2^(4+).[Cd_2Cl_8]^(4-)

将邻苯二胺、3-吡啶甲酸与二氯化镉在1∶1的盐酸溶液中经水热反应,合成了一种超分子化合物[2-(3-pyridyl)benzimidazoleH2]24+.[Cd2Cl8]4-。通过元素分析、红外光谱、热重对其结构和性质进行了表征,用X-射线单晶衍射测定了该化合物的晶体结构。化合物晶体为单斜晶系,P21/c空间群。超分子化合物中的Cd2+与其周围4个氯离子配位,构成畸变三角锥构型的离子[CdCl4]2-,2个配阴离子[CdCl4]2-之间通过双氯桥键[Cd-Cl-Cd]构成五配位双核镉髤四元环状结构,并与2个2-(3-吡啶基)苯并咪唑两价阳离子,通过静电引力、氢键及π-π堆积作用形成三维网状超分子化合物。荧光测试表明该化合物具有较好的光致发光性能。

A supermolecular compound, [2-（3-pyridyl）benzimidazoleH2]24＋· [Cd2Cl8]^4- was synthesized by the hydro- thermal reaction of o-diaminobenzene, nicotinic acid with CdCl2 in 1：1 HCl solution. The structure was characterized by elemental analysis, IR spectral analysis, thermogravimetric analysis. The single crystal structure was determined by X-ray single crystal structure analysis. The crystal structure of the compound belongs to monoclinic system, space group P2 1/c, with a=0.762 7（7） nm, b=1.589 2（14） nm, c=1.252 6（11） nm,β=90.013（9）°, Z=2, V=1.518（2） nm3, De= 1.975 g· cm-3,μ=2.133 mm-1, F（000）= 880, R1=0.017 5 and wR2=0.043 5. Cd^2＋ ion with four chloride ions coordinate in the compound formed a distorted pyrometric cone [CdCl4]^2-. Two coordination anions [CdCl4]^2- formed biquaternion ring structure of Binuelear cadmium（H） of penta-eoordinated by secondary chlorine-bridged （Cd-Cl-Cd）. Moreover, the ring structure formed the three-dimensional supermolecular compound by electrostatic attraction, hydrogen bond and π-π stacking with two 2-（3-pyridyl）benzimidazole cations. Fluorescence spectral analysis showed that the title compound has a good photoluminescence property. CCDC： 710524.