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用恒电流电化学结晶的方法合成了一种新的基于电子给体BEDT TTF(双亚乙基二硫四硫富瓦烯 )的电荷转移盐θ (ET) (C7H7SO3 )·3H2 O (ET为BEDT TTF的简写 ,C7H7SO-3 =对甲苯磺酸根 ) .用四圆X衍射的方法测定了θ (ET) (C7H7SO3 )·3H2 O的结构 .晶体属于三斜晶系 ,P 1空间群 ;a =0 8682 ( 1)nm ,b =1 2 0 2 7( 1)nm ,c =2 5 890 ( 3 )nm ,α =87 0 2 5 ( 6)° ,β =89 117( 8)° ,γ =69 0 71( 7)° ,V =2 5 2 16( 5 )nm3 ,R =0 0 5 80 .晶体中ET自由基沿a轴方向堆积成柱 ,相邻两个分子柱中的ET分子平面的夹角为 49 3 0° .在b轴方向存在着分子柱侧向间的S…S近距作用 .ET阳离子层与对甲苯磺酸根阴离子层沿c轴方向上交替排列 .位于阳离子层与阴离子层之间的许多H2 O形成了有利于晶体导电性的二维氢键网络 .θ (ET) (C7H7SO3 )·3H2 O在 ( 0 0 1)晶面上某方向上的室温导电率为 0 0 11S·cm-1,所测变温电导曲线表明 ,该晶体在 12 0～ 2 78K温度区间内表现为半导体导电行为 ,导电激活能Ea=0 3 16eV .从 2 78～ 2 86K表现为金属导电性 .在 2 76K附近存在金属-半导体相变
A new charge-transfer salt θ (ET) (C7H7SO3) · 3H2O based on the electron donor BEDT TTF (bis-ethylene disulfide tetrathiafulvalene) was synthesized by galvanostatic crystallization. ET The abbreviation of BEDT TTF, C7H7SO-3 = p-toluenesulfonate) .The structure of θ (ET) (C7H7SO3) · 3H2O was determined by four-circle X-ray diffraction.The crystals belong to triclinic system, = 0 8682 (1) nm, b = 1 2 0 2 7 (1) nm, c = 2 5 890 (3) nm, γ = 69 0 71 (7) °, V = 2 5 2 16 (5) nm3, R = 0 0 5 80. In the crystal, ET radicals accumulate into columns along the a-axis. ET The angle between the plane of the molecules is 49 3 0 ° there is S S close role of the lateral direction of the molecular column in the b axis direction.ET cation layer and the tosylate anion layer are alternately arranged along the c axis direction, Many H2 O between the layer and the anion layer form a two-dimensional hydrogen bonding network which is conducive to crystal conductivity. The room temperature conductivity of (ET) (C7H7SO3) · 3H2 O in the (0 0 1) Is 0 0 11S · cm-1, the measured temperature-dependent conductance curve shows that the crystal at 12 0 ~ 2 78K temperature Interval showed semiconducting behavior, the conductive activation energy Ea = 0 3 16eV from 2 78 ~ 2 86K showed the presence of metallic conductive metal in the vicinity of 2 76K -.. The semiconductor phase transition