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

Synthesis, Structure and Conductivity of the BEDT-TTF-based Molecular Conductor á-(BEDT-TTF)_2C_6H_4(SO_3)_2

作　　者：刘陟[1] 方奇[1] 于文涛[1] 薛刚[1] 蒋民华[1] 张斌[2] 张金彪[2] 朱道本[2] 

机构地区：[1]山东大学晶体材料国家重点室,济南250100 [2]中国科学院化学研究所,北京100080

出　　处：《化学学报》2002年第7期1318-1323,共6页Acta Chimica Sinica

基　　金：国家重点基础研究规划项目基金;国家自然科学基金 (No .2 0 172 0 34);中科院化学研究所有机固体开放实验室开放课题资助项目

摘　　要：用恒电流电化学结晶法合成了一种新的基于BEDT TTF的电荷转移盐α′ (BEDT TTF) 2 C6H4 (SO3 ) 2 [BEDT TTF =双亚乙基二硫四硫富瓦烯 ,C6H4 (SO3 ) 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) 2 C6H4 (SO3 ) 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 .6 6 989(11)nm ,c =3.44 2 2(7)nm ,β =91.135 (12 )°,V =1.796 8(6 )nm3 .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轴方向由肩并肩强分子间相互作用形成一维分子链 .电荷补偿阴离子C6H4 (SO3 ) 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) 2 C6H4 (SO3 ) 2 在ab面的某方向的室温电导率为 0 .5 913Ω-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15 0K附近 。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 α′-(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 semi^con^duct^or. A certain transition took place around 150 K.

关 键 词：α'-(BEDT-TTF)2C6H4(SO3)2 合成 结构 导电性 BEDT-TTF 分子导体 电荷转移盐 

分 类 号：O73[理学—晶体学]