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化学学报
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化学学报 ›› 2002, Vol. 60 ›› Issue (7): 1318-1323. 上一篇    下一篇

研究论文

α'-(BEDT-TTF)_2C_6H_4(SO_3)_2的合成、结构与导电性

刘陟;方奇;于文涛;薛刚;蒋民华;张斌;张金彪;朱道本   

  1. 山东大学,济南(250100);中国科学院化学研究所.北京(100080)
  • 发布日期:2002-07-15

Synthesis, Structure and Conductivity of the BEDT-TTF-based Molecular Conductor α'-(BEDT-TTF)-2C_6H_4(SO_3)_2

Li Zhi;Fang Qi;Yu Wentao;Xue Gang;Jiang Minhua;Zhang Bin;Zhang Jinbiao;Zhu Baoben   

  1. State Key Laboratory of Crystal Materials, Shandong University, Jinan(250100);Institute of Chemistry, Chinese Academy of Sciences. Beijing(100080)
  • Published:2002-07-15

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用恒电流电化学结晶法合成了一种新的基于BEDT-TIF的电荷转移盐α'-(BEDT- TIF)_2C_6H_4(SO_3)_2 [BEDT-TIF = 双亚乙基二硫四硫富瓦烯，C_6H_4(SO_3) _2~(2-) = 对苯二磺酸根]。通过四圆X射线衍射方法测定了α'-(BEDT-TTF) _2C_6H_4-(SO_3)_2的结构。晶体属于单斜晶系，P2/n空间群；晶胞参数：a = 0. 77937(17)nm, b = 0.66989(11) nm, c = 3.4422 (7) nm, β = 91.135(12) °, V = 1.7968(6) nm~3。该晶体中BEDT-TTF~+自由基沿a轴方向形成具有二聚体结构 的交错排列型柱状堆积，沿b轴方向由户并户强分子间相互作用形成一维分子链。 电荷补偿阴离子C_6H_4(SO_3)_2~(2-)则在a方向存在较强的作用。沿c轴方向， BEDT-TTF~+自由基层和阴离子层交替排列形成夹心式结构。α'-(BEDT-TTF) _2C_6H_4-(SO_3)_2在ab面的某方向的室温电导率为0.5913 Ω~(-1)·m~(-1)，电 阻率-温度测定曲线表明它具有半导体导电行为。在150K附近，晶体发生了某种相 变。

关键词: 四硫富瓦烯, 苯二磺酸 P, 导电性, 电荷转移, 晶体结构, X射线衍射分析

A new BEDT-TTF-based cation radical salt, α'-(BEDT-TTF)_2C_6H_4 (SO_3)_2 [BEDT-TTF = bis-(ethylenedithio) tetrathiafulvalene, C_6H_4 (SO_3)_2~(2-) = p-disulfonate benzene], has been prepared by oxidative electrocrystallization at a constant current of 1.5 μA. The single crystal structure was determined by four-circle X-ray diffraction method. The crystal belongs to monoclinic system, P2/n space group with the unit cell parameters of a = 0.77937 (17) nm, b = 0.66989(11) nm, c = 3.4422(7) nm, β = 91.135(12)°, V = 1.7968(6) nm~3. In the crystal of the title compound, the BEDT-TTF cation radicals are stacked to form staggered columns of dimerised BEDT-TTF units along the a-axis and arranged side-by-side to form one-dimensional uniform chains along the b-axis. Counter ions are also arranged to form strong interactions along a-axis. Layers of BEDT-TTF cationic radicals and C_6H_4(SO_3)_2~(2-) counter anions alternate to form separate structure along the c-direction. The room temperature conductivity of a'-(BEDT-TTF)_2C_6H_4(SO_3)_2 was measured to be 0.5913 Ω~(-1)·m~(-1) . The resistivity-temperature curve demonstrates that it is a typical semiconductor. A certain transition took place around 150 K.

Key words: BEDT-TIF, BENZENEDISULFONIC ACID P, ELECTRICAL CONDUCTIVITY, CHARGE TRANSFER, CRYSTAL STRUCTURE, XRD

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