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首页> 外文期刊>Ionics >A new one-dimensional hybrid material lattice: AC conductivity and structural characterizationof [C7H_(12)N2]fCdCl4]
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A new one-dimensional hybrid material lattice: AC conductivity and structural characterizationof [C7H_(12)N2]fCdCl4]

机译：一种新的一维杂化材料晶格：[C7H_（12）N 2] CdCl4]的AC电导率和结构表征

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摘要

The present paper reports the synthesis, crystal structure, ~(l3)C and ~(111)Cd cross-polarization magic-angle spinning nuclear magnetic resonance(CP-MAS-NMR) analysis and ac conductivity for a new organic-inorganic hybrid salt, [C7H_(12)N2][CdCl4]. The compound crystallizes in the triclinic system, space group P1, with unit cell dimensions: a=7.1050(3) A, b=8.9579(3) A, c=9.4482(3) A, α=81.415 (1)°, β=89.710(2)°, 7=85.765(1)°, V=592.97(4) A~3, and Z=2. The asymmetric unit is composed of one-2,4-diammo-nium toluene cation and one [CdCl4]~(2-) anion. The Cd atom is in a slightly distorted octahedra coordination environment. Its structure can be described by infinite chains of CdCl6 octahedron linked to organic cations by a strong charge-assisted N-H···Cl interactions in order to build organic-inorganic layers staked along [011] direction. The solid state~(l3)C CP-MAS-NMR spectra has shown seven isotropic resonances, confirming the existence of seven non-equivalent carbon atoms, which is consistent with crystal structure determined by X-ray diffraction. As for ~(111)Cd MAS-NMR, it has shown one cadmium site with isotropic chemical shift observed at 167.2 ppm. The complex impedance of the compound has been investigated in the temperature range of 403-460 K. and in the frequency range of 200 Hz-5 MHz. The impedance plots have shown semicircle arcs at different temperatures andi an electrical equivalent circuit has been proposed to explain the impedance results. The circuits consist of the parallel combination of bulk resistance R_P and constant phase elements.
机译：本文报道了一种新型的有机-无机杂化盐的合成，晶体结构，〜（l3）C和〜（111）Cd交叉极化魔角旋转核磁共振（CP-MAS-NMR）分析和交流电导率。 ，[C7H_（12）N2] [CdCl4]。该化合物在三斜晶系系统P1空间群中结晶，晶胞尺寸为：a = 7.1050（3）A，b = 8.9579（3）A，c = 9.4482（3）A，α= 81.415（1）°，β = 89.710（2）°，7 = 85.765（1）°，V = 592.97（4）A〜3和Z = 2。该不对称单元由一个-2,4-二铵甲苯阳离子和一个[CdCl4]〜（2-）阴离子组成。 Cd原子处于稍微扭曲的八面体配位环境中。它的结构可以通过CdCl6八面体的无限链来描述，该CdCl6八面体通过强电荷辅助的N-H··Cl相互作用与有机阳离子相连，从而建立沿[011]方向的有机-无机层。固态（13）C CP-MAS-NMR光谱显示出七个各向同性的共振，证实存在七个非等价的碳原子，这与通过X射线衍射确定的晶体结构是一致的。关于〜（111）Cd MAS-NMR，显示出一个镉位点，在167.2 ppm处观察到各向同性化学位移。已经在403-460 K.的温度范围和200 Hz-5 MHz的频率范围内研究了该化合物的复阻抗。阻抗图显示了在不同温度下的半圆弧，并提出了等效电路来解释阻抗结果。电路由大电阻R_P和恒定相位元件的并联组合组成。

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