tetrabutylammonium mercury tribromide | 121187-80-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: tetrabutylammonium mercury tribromide
• CAS: 121187-80-2
• 化学式: Br₃Hg*C₁₆H₃₆N
• 分子量: 682.771
• InChiKey: CVHZTTTUZGGVQK-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  7.54
• 重原子数：
  21.0
• 可旋转键数：
  12.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  双(三亚甲基二硫代)四硫富瓦烯 、 tetrabutylammonium mercury tribromide 以 further solvent(s) 为溶剂， 生成 bis(propylenedithio)tetrathiafulvalene tribromomercurate
  参考文献：
  名称：

  Crystal structure of the simple radical-cation salt bis(propylenedithio)tetrathiafulvalene tribromomercurate, (BPDT-TTF)HgBr3

  摘要：

  DOI：

  10.1007/bf00752549

文献信息

• New organic metals: Radical cation salts of bis(ethylenedioxo)tetrathiafulvalene with halide mercurate anions
  作者：E. I. Zhilyaeva、S. A. Torunova、R. N. Lyubovskaya、R. B. Lyubovskii

  DOI：10.1007/bf01431599

  日期：1996.5

  Radical cation salts with halide mercurate anions were obtained by the electrochemical oxidation of bis(ethylenedioxo)tetrathiafulvalene (BEDO-TTF), and their conductivity was studied. The compounds (BEDO-TTF)4Hg3X8 (X = Cl or Br), (BEDO-TTF)4Hg3.5I9, and (BEDO-TTF)2HgBr3 possess the conductivity of the metallic type down to helium temperatures.

  通过电化学氧化双(亚乙基二氧)四硫富瓦烯(BEDO-TTF)获得具有卤化物汞酸盐阴离子的自由基阳离子盐，并研究了它们的电导率。化合物 (BEDO-TTF)4Hg3X8 (X = Cl 或 Br)、(BEDO-TTF)4Hg3.5I9 和 (BEDO-TTF)2HgBr3 具有低至氦气温度的金属型导电性。
• Molecular conductors with differently oriented conducting layers, (EDT-TTF)3Hg2Br6 and (TMBEDT-TTF)5Hg(SCN)4-xIx
  作者：E. I. Zhilyaeva、V. N. Semkin、E. I. Yudanova、R. M. Vlasova、S. A. Torunova、A. M. Flakina、G. A. Mousdis、K. V. Van、A. Graja、A. Lapinski、R. B. Lyubovskii、R. N. Lyubovskaya

  DOI：10.1007/s11172-010-0247-4

  日期：2010.7

  New conducting radical cation salts (EDT-TTF)3Hg 2Br6, (TMET) 5Hg(SCN) 4-xIx (x≈0.35), and (EDT-TTF)3Hg(SCN)3I0.5(PhCl)0.5 were synthesized. Their conductivities, ESR and polarized reflectance spectra were studied. It was shown that the organic conductors with differently oriented conducting layers (EDT-TTF)3Hg2Br6 and (TMET)5Hg(SCN)4-xIx (x≈?0.35) are characterized by the quasi-one-dimensional character of electron motion. The conductivity along and across conducting layers has a semiconductive character. It was established by ESR and polarized reflectance spectroscopy that the properties of such conductors are a superposition of the properties of individual conducting layers.

  合成了新的导电自由基阳离子盐（EDT-TTF）3Hg 2Br6、（TMET）5Hg（SCN）4-xIx（x≈0.35）和（EDT-TTF）3Hg（SCN）3I0.5（PhCl）0.5。研究了它们的电导率、ESR 和偏振反射光谱。研究表明，具有不同取向导电层 (EDT-TTF)3Hg2Br6 和 (TMET)5Hg(SCN)4-xIx (x≈?0.35) 的有机导体具有电子运动的准一维特性。沿导电层和跨导电层的导电性具有半导体特性。通过 ESR 和偏振反射光谱法可以确定，这种导体的特性是单个导电层特性的叠加。
• Structure and Conducting Properties of TMET-TTP Radical-Cation Salts
  作者：Takehiko Mori、Hiroo Inokuchi、Yohji Misaki、Hiroyuki Nishikawa、Tokio Yamabe、Hatsumi Mori、Shoji Tanaka

  DOI：10.1246/cl.1993.733

  日期：1993.4

  Radical cation salts of TMET-TTP (2-(4′,5′-bis(thiomethyl)-1′,3′-dithiol-2′-ylidene)-5-(4″,5″-ethylenedithio-1″,3″-dithiol-2″-ylidene)-1,3,4,6-tetrathiapentalene) with various anions show high electrical conductivity. Many of them have a similar structure with two-dimensional donor arrangement.

  TMET-TTP（2-(4′,5′-双（硫甲基）-1′,3′-二硫醇-2′-亚基)-5-(4″,5″-亚乙二硫基-1″,3″-二硫醇-2″-亚基)-1,3,4,6-四硫杂戊烯）与各种阴离子的激阳离子盐显示出很高的导电性。其中许多具有类似的二维供体排列结构。
• Optical properties of the conducting salt (DOEO)4HgBr4·TCE
  作者：A. Łapiński、A.I. Kotov

  DOI：10.1016/j.chemphys.2006.03.018

  日期：2006.8

  A new charge transfer (DOEO)(4)HgBr4 (.) TCE salt based on [(1,4-dioxane-diyl-2,3-ditio)ethylenedioxytetrathiafulvalene] (DOEO) and [HgBr4](2-) anion was synthesized and characterized by spectral analysis. The structure consists of alternating organic and inorganic layers. The inorganic layers are formed by [HgBr4](2-) anions and 1,1,2-trichloroethan (TCE) solvent molecules. The organic layers are built of dimerized DOEO stacks. Polarized reflectance (from 500 to 18,000 cm(-1)) and Raman spectra of single crystals were studied down to the liquid helium temperature. An electronic dispersion in IR spectra was analyzed in terms of the Lorentz model and optical transport parameters were determined. The proposed assignment of vibrational features of (DOEO)(4)HgBr4 (.) TCE salt was based on ab initio calculations of the normal modes of DOEO0, DOEO+, and TCE molecules. The analysis of the spectra in terms of the isolated dimer model yields reliable estimates of DOEO electron molecular vibration (e-mv) coupling constants. (c) 2006 Elsevier B.V. All rights reserved.
• The radical-cation salt (DOEO)4[HgBr4] · TCE: Synthesis, structure and conductivity
  作者：A. A. Bardin、A. I. Kotov、S. S. Khasanov、G. V. Shilov、L. I. Buravov、L. Ochab、E. B. Yagubskii

  DOI：10.1134/s1070328406020023

  日期：2006.2

  Crystals of a new radical-cation salt (DOEO)(4)[HgBr4] center dot TCE (I) (DOEO = (1,4-dioxanediyl-2.3-dithio)ethylenedioxotetrathiafulvalene, TCE = 1,1,2-trichloroethane) were synthesized by electrocrystallization method at constant current (i = 5 x 10(-6) A/cm(2)). Crystal structure was studied at room (293 K) and low (30 K) temperatures and was found to consist of the radical-cation layers alternating along the z-axis with tetrahedral Hg Br-4(2-) anions and TCE molecules. The anion is disordered over three positions at room and over two positions at low temperatures with occupancy factors 87, 11, 2 and 98, 2%, respectively. The poorly occupied positions of the anion are overlapped with positions of the TCE molecule disordered over two equally occupied positions. The DOEO ethylene groups disordered at 293 K were found ordered at 30 K. The conductivity off exhibits the following peculiarity: in a temperature interval of 120-140 K, the temperature dependence of resistivity has a pronounced maximum.