(BEDT-TTF)_2C_3H_5SO_3·H_2O新晶体的生长、结构与导电性

Crystal Growth, Structure and Conductivity of the BEDT-TTF-based Charge-Transfer Salt (BEDT-TTF)_2C_3H_5SO_3·H_2O

用恒电流电化学结晶法培养了一种新的基于BEDT TTF的电荷转移盐 (BEDT TTF) 2 C3 H5SO3 ·H2 O [BEDT TTF =双 (亚乙基二硫 )四硫富瓦烯 ,C3 H5SO-3 =烯丙基磺酸根 ] .通过四圆X射线衍射方法测定了 (BEDT TTF) 2 C3 H5SO3 ·H2 O的结构 .晶体属于正交晶系 ,Pma2空间群 ;晶胞参数 :a =3 2 772 ( 3 )nm ,b =0 7960 4( 7)nm ,c =0 66868( 7)nm ,V =1 744 5 ( 3 )nm3 .在标题化合物晶体中 ,BEDT TTF0 5+ 自由基形成α′ 型堆积 ,烯丙基磺酸根阴离子则通过氢键沿c轴方向连接成链 .(BEDT TTF) 2 C3 H5SO3 ·H2 O的室温电导率为 0 0 489Ω-1·m-1,电阻率 -温度测定曲线表明它具有典型的半导体导电行为 ,其导电激活能为 0 3 19eV .

A new BEDT-TTF-based charge-transfer salt, (BEDT-TTF) 2C 3H 5SO 3·H 2O (BEDT-TTF=bis^(ethylenedithio)tetrathiafulvalene, C 3H 5SO - 3=allylsulfonate), has been prepared by oxidative electro-crystallization 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 orthorhombic system, Pma2 space group with the unit cell parameters of a=3.2772(3) nm, b=0.79604(7) nm, c=0.66868(7) nm, V=1.7445(3) nm 3. In the crystal of the title compound, the BEDT-TTF cations adopt an α′-type packing pattern and organic counter anions form infinite chains by hydrogen bonds along c-axis. The room-temperature conductivity of the salt is 0.0489 Ω -1·m -1. The resistivity-temperature curve demonstrates that it is a typical semiconductor with an activation of 0.319 eV.