Synthesis and Characterization of Bis(4-methylbenzylammonium) Tetrachloridocadmate(II)

R. Kefi, M. Zeller, F. Lefebvre, C. Nasr
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引用次数: 12

Abstract

The crystal structure of the new inorganic-organic hybrid compound [4-CH3C6H4CH2NH3]2[CdCl4] has been determined by single crystal X-ray diffraction. The compound crystallizes in the orthorhombic space group Pnma with lattice parameters , ,  A, ,  A3, and . The framework of the title compound is built upon layers parallel to (010) made up from corner-sharing CdCl6 octahedra. 4-Methylbenzylammonium cations are situated between the layers and connect them via an N–H⋯Cl hydrogen bonding network. The Cd atom is located on an inversion centre, and the coordination environment is described as distorted octahedral. Solid state 13C CP-MAS NMR spectroscopy is in agreement with the X-ray structure. DFT calculations allow the attribution of the carbon peaks to the independent crystallographic sites. Thermal analysis and infrared spectroscopy were also used to characterize the complex.
四氯乙酸双(4-甲基苄基铵)的合成与表征
用单晶x射线衍射测定了新型无机-有机杂化化合物[4-CH3C6H4CH2NH3]2[CdCl4]的晶体结构。该化合物在晶格参数为,A, A3,和的正交空间群Pnma中结晶。标题化合物的框架是建立在平行于(010)的层上,由共享角的CdCl6八面体组成。4-甲基苄基铵阳离子位于层之间,并通过N-H⋯Cl氢键网络将它们连接起来。Cd原子位于反转中心,配位环境被描述为畸变八面体。固体13C CP-MAS核磁共振光谱与x射线结构一致。DFT计算允许将碳峰归属于独立的晶体位置。并用热分析和红外光谱对配合物进行了表征。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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