(BEDT-TTF)2C3H5SO3·H2O新晶体的生长、结构与导电性

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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 novel BEDT TTF-based charge-transfer salt (BEDT TTF) 2 C 3 H 5 SO 3 .H 2 O [BEDT TTF = bis (ethylene disulfide) tetrathiafulvalene, C3 H5 SO -3 = allylsulfonate]. The structure of (BEDT TTF) 2 C3 H5SO3 · H 2 O was determined by four-circle X-ray diffraction method. The crystals belong to orthorhombic, Pma2 space group; 2 772 (3) nm, b = 0 7960 4 (7) nm, c = 0 66868 (7) nm, V = 1 744 5 (3) nm 3. In the title compound crystals, the BEDT TTF0 5+ radical forms α ’Type of accumulation, allylsulfonate anion through the hydrogen bond along the c-axis direction connected to the chain. (BEDT TTF) 2 C3H5SO3 · H2 O at room temperature conductivity of 0 0 489Ω-1 · m-1, the resistivity - The temperature measurement curve shows that it has a typical semiconducting behavior with a conduction activation energy of 0 3 19 eV.
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