CAJ | 학술논문

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 tem-perature of(Me3NEt)[Pd(dmit)2]2(s = 58 W-1@ cm-1) is much higher than that of(NEt4)- [Pd(dmit)2]2(s = 2.2 W-1@cm-1) has been rationally explained by the results of energy band calculations.(Me-NEt3)[Pd(dmit)2]2 belongs to monoclinic system, P21/m space group and(NEt4)[Pd(dmit)2]2 belongs to triclinic system, space group. The structural conducting component of the crystals is the planar coordinative anion [Pd(dmit)2]0.5- which forms the face-to-face dimmer . 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 order of magnitude difference of conductivities.