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The electrical conductive molecular crystals (Me3NEt)[Pd(dmit)2]2 and (NEt4)[Pd (dmit)2]2 (dmit = 4,5-dimercapto-1,3-dithiole-2-thione) have been prepared, and their crystal structures and conductivity-temperature curves have been determined. The fact that the conductivity at room temperature of (Me3NEt)[Pd(dmit)2]2 (a = 58 Ω· cm-1) is much higher than that of (NEt4)-[Pd(dmit)2]2(cr= 2.2 Q~1 ?cm’1) has been rationally explained by the results of energy band calculations. (MeNEt3)[Pd(dmit)2]2 belongs to monoclinic system, P21/m space group and (NEt4)[Pd (dmit)2]2 belongs to triclinic system, P1 space group. The structural conducting component of the crystals is the planar coordinative anion [Pd(dmit)2]05- which forms the face-to-face dimmer [Pd(dmit)2]2-. These dimers have been further constructed to be a kind of two-dimensional (2-D)conductive molecular sheet by means of S…S intermolecular interactions. The tiny difference of the above 2-D molecular sheets of the two title crystals has resulted in one
The electrical conductive molecular crystals (Me3NEt) [Pd (dmit) 2] 2 and (NEt4) [Pd (dmit) 2] 2 (dmit = 4,5-dimercapto- 1,3-dithiole-2-thione) , and their crystal structures and conductivity-temperature curves have been determined. The fact that the conductivity at room temperature of (Me3NEt) [Pd (dmit) 2] 2 (a = 58 Ω · cm -1) is much higher than that of (NEt4) - [Pd (dmit) 2] 2 (cr = 2.2 Q -1 cm -1) has been rationally explained by the results of energy band calculations. (MeNEt3) [Pd (dmit) 2] 2 belongs to monoclinic system, P21 / m space group and (NEt4) [Pd (dmit) 2] 2 belongs to triclinic system, P1 space group. The structural conducting component of the crystals is the planar coordinative anion [Pd (dmit) 2] 05- Forms the face-to-face dimmer [Pd (dmit) 2] 2-. These dimers have been further constructed to be a kind of two- dimensional (2-D) conductive molecular sheets by means of S ... S intermolecular interactions. tiny difference of the above 2-D molecular sheets of the two title crystals has resulted in one