Synthesis, structure and conductivity of molecular conductor theta-(ET)(C7H7SO3) center dot 3H(2)O

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	Synthesis, structure and conductivity of molecular conductor theta-(ET)(C7H7SO3) center dot 3H(2)O
	Chen, HY ; Fang, Q ; Xu, W ; Xue, G ; Yu, WT ; Xu, CY ; Zhang, JB ; Zhang, DQ
刊名	ACTA CHIMICA SINICA
	2004-07-14
卷号	62 期号:13 页码:1217-1221
关键词	Et Synthesis Structure Conductivity
ISSN号	0567-7351
英文摘要	A new ET-based radical salt, theta-(ET) (C7H7SO3) . 3H(2)O (ET = bis ( ethylenedithio) tetrathiafulvalene, C7H7SO3- = p-toluenesulfonate anion), has been synthesized by oxidative electrocrystallization. The crystal structure was determined by four-circle X-ray diffraction. The crystal belongs to triclinic system, P-1 space group with the unit cell parameters: a = 0.8682(1) nm, b = 1.2027(1) nm, c = 2.5890(3) nm, alpha = 87.025(6)degrees, beta = 89.117(8)degrees, gamma = 69.071(7)degrees, V = 2.5216(5) nm(3), R = 0.0570. In the title crystal, the ET radicals are stacked to form columns along the a-axis and there is 49.30degrees dihedral angle between adjacent ET molecular planes. The inter-stack side-by-side (SS)-S-... short contacts along the b-axis help to form a kind of cationic conducting sheet parallel to (001) plane. Layers of ET cations and layers of C7H7SO3- counter anions alternate to arrange along the c-direction. The H2O molecules between the cationic sheet and the anionic sheet result in strong H-bond net which is beneficial to electrical conductivity. The room temperature conductivity at a certain direction on (001) plane of theta-(ET) (C7H7SO3) . 3H(2)O crystal was measured to be 0.011 S (.) cm(-1). From 120 to 278 K, the resistivity-temperature curve demonstrates its semiconductor behavior, with an activation energy of 0.316 eV. However, with a metal-semiconductor phase transition around 276 K, it exhibits metallic conductivity from 278 to 286 K.
语种	英语
出版者	SCIENCE CHINA PRESS
WOS记录号	WOS:000222664100006
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/82341]
专题	中国科学院化学研究所
通讯作者	Fang, Q
作者单位	1.Shandong Univ, State Key Lab Crystal Mat, Jinan 250100, Peoples R China 2.Chinese Acad Sci, Inst Chem, Beijing 100080, Peoples R China
推荐引用方式 GB/T 7714	Chen, HY,Fang, Q,Xu, W,et al. Synthesis, structure and conductivity of molecular conductor theta-(ET)(C7H7SO3) center dot 3H(2)O[J]. ACTA CHIMICA SINICA,2004,62(13):1217-1221.
APA	Chen, HY.,Fang, Q.,Xu, W.,Xue, G.,Yu, WT.,...&Zhang, DQ.(2004).Synthesis, structure and conductivity of molecular conductor theta-(ET)(C7H7SO3) center dot 3H(2)O.ACTA CHIMICA SINICA,62(13),1217-1221.
MLA	Chen, HY,et al."Synthesis, structure and conductivity of molecular conductor theta-(ET)(C7H7SO3) center dot 3H(2)O".ACTA CHIMICA SINICA 62.13(2004):1217-1221.