Abstract
A new electrical conductive crystal PyEt[Ni(dmit)2]2 (dmit = 4,5-dimercapto-1,3-dithiole-2-thione) has been synthesized and its X-ray structure has been determined to be in monoclinic system, C2/c space group. In PyEt[Ni(dmit)2]2 crystal, the conducting component [Ni(dmit)2]0.5- is face-to-face packed forming molecular column along the c-direction, and these molecular columns are then side-by-side extended along the a-direction forming a kind of two-dimensional conducting sheet on (010). The measured conductivity at room temperature along a certain direction on (010) plane is 10 S · cm-1. From 282 to 269 K, the crystal shows metallic behavior but changes to semiconductor below 269 K. Based on the measured crystal structure and calculated band structure, this conductor-semiconductor phase transformation can be primarily interpreted: The metallic conductivity is corresponding to the uniform molecular column and the atomic-lattice-chain structure of Ni chain, while the semi-conductive behavior to staggered molecular column and the atomic-zigzag-chain structure of Ni chain.
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Fang, Q., Xu, W., Lei, H. et al. Synthesis, structure, and conductivity of molecular conductor (PyEt)[Ni(dmit)2]2 . Sc. China Ser. B-Chem. 46, 595–604 (2003). https://doi.org/10.1360/03yb0079
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DOI: https://doi.org/10.1360/03yb0079