Synthesis,structure, and conductivity of molecular conductor (PyEt)[Ni(dmit)2]2 |
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| Authors: | Qi?Fang author-information" > author-information__contact u-icon-before" > mailto:fangqi@icm.sdu.edu.cn" title=" fangqi@icm.sdu.edu.cn" itemprop=" email" data-track=" click" data-track-action=" Email author" data-track-label=" " >Email author,Wen?Xu,Hong?Lei,Gang?Xue,Hongyu?Chen,Cuiying?Xu,Chunyang?Jia,Deqing?Zhang |
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| Affiliation: | (1) State Key Laboratory of Crystal Materials, Shandong University, 250100 Jinan, China;(2) Chinese Academy of Sciences, Institute of Chemistry, 100080 Beijing, China;(3) School of Information Science and Engineering, Shandong University, 250100 Jinan, China |
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| 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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| Keywords: | molecular conductor synthesis crystal structure energy band conductivity |
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