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合成了一种新的导电分子晶体(PyH)[Ni(dmit)2 ]2 (Py =pyridine,dmit=(C3S5)2 -=4,5 dimercapto 1,3 dithiole 2 thione),用元素分析、红外光谱对其进行了表征,并用四圆X射线衍射方法确定了结构,该晶体属于三斜晶系,P 1空间群;晶胞参数为:a =0 5 92 2 7(4)nm,b =0 82 2 79(6)nm,c=1 675 3 5 (9)nm,α =90 2 3 3 (5)°,β =92 10 7(5)°,γ =10 4 65 4(6)°;V =0 7892 5 (9)nm3,Z =1.(PyH)[Ni(dmit)2 ]2 晶体中,导电组元[Ni(dmit)2 ]-0 5沿b轴方向形成具有二聚体结构的柱状堆积,在(0 0 1)面形成以肩并肩分子间的S S强相互作用为特征的二维导电层,这种二维导电层上的室温电导率为 0 13Ω-1·cm-1,在c轴方向,(PyH)+与[Ni(dmit)2 ]-0 5之间除库仑作用外,还存在N—H S,C—H S氢键相互作用.单晶(0 0 1)面上变温电阻的测定结果表明,在 90K到室温的温度范围内,(PyH)[Ni (dmit)2 ]2 具有半导体导电行为,导电激活能为 0 15eV.
A new conductive crystal (PyH) [Ni (dmit) 2] 2 (Py = pyridine, dmit = (C3S5) 2 - = 4,5 dimercapto 1,3 dithiole 2 thione) was synthesized and characterized by elemental analysis, The structure of the crystal belongs to the triclinic system, P 1 space group. The unit cell parameters are: a = 0 5 92 2 7 (4) nm, b = 0 82 2 79 (6) nm, c = 1 675 3 5 (9) nm, α = 90 2 3 3 (5) °, β = 92 10 7 (5) °, In the (PyH) [Ni (dmit) 2] 2 crystal, the conductive component [Ni (dmit) 2] The columnar packing of the polymer structure forms a two-dimensional conductive layer on the (0 0 1) plane which is characterized by SS strong interaction between the side-by-side molecules. The room temperature conductivity on this two-dimensional conductive layer is 0 13 Ω -1 · cm-1, in addition to the Coulomb interaction between (PyH) + and [Ni (dmit) 2] -05 in the c-axis direction, N-HS and C- 1) The results of surface temperature-dependent resistance measurement show that (PyH) [Ni (dmit) 2] 2 has a semiconducting behavior with a conduction activation energy of 0 15eV over the temperature range of 90K to room temperature.