一种2,2′-联咪唑镉化合物的荧光、理论计算和结构研究(英文)

Fluorescent,Theoretical and Structural Investigations of a 2,2′-Biimidazole Cadmium Compound

通过水热反应合成了一种新颖的镉-联咪唑化合物[Cd(BIm)2](ClO4)(OH)·2H2O(1)(BIm=2,2′-biimidazole),并对其进行了单晶X-射线衍射结构表征。该化合物具有孤立结构特征,镉原子与4个氮原子配位形成1个扭曲的四面体。光致发光研究发现该化合物发出蓝色荧光。理论研究结果显示该荧光来自于LMCT机理。本文还对其红外光谱进行了报道。

A novel cadmium-biimidazole compound [Cd（BIm）2]（ClO4）（OH）·2H2O（1）（BIm=2,2＇-biimidazole） has been synthesized via a hydrothermal reaction and structurally characterized by single-crystal X-ray diffraction. Compound 1 features an isolated （OD） structure with the cadmium ions coordinating to four nitrogen atoms to give a distorted tetrahedron. Photoluminescent investigation shows that compound 1 exhibits an emission in the blue region. Theoretical study reveals that the emission is ascribed to ligand-to-metal charge transfer （LMCT）. The spectral data of FT-IR are also reported. CCDC： 895386.