ammonium tetrathiafulvalene 2-carboxylate | 1174459-89-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 乙烯基硫酯
• 英文名称: ammonium tetrathiafulvalene 2-carboxylate
• 英文别名: TTFCOO-NH4+；ammonium tetrathiafulvalene-2-carboxylic acid salt；Azanium;2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-carboxylate；azanium;2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-carboxylate
• CAS: 1174459-89-2
• 化学式: C₇H₄O₂S₄*H₃N
• 分子量: 265.402
• InChiKey: YIKAYAZEEUGFBI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.63
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  140
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  tetrathiafulvalene-4-carboxylic acid 在 氨 作用下， 以 乙醚 、 水 为溶剂， 以50%的产率得到ammonium tetrathiafulvalene 2-carboxylate
  参考文献：
  名称：

  四硫富瓦烯 (TTF) 导体中的氢键辅助自掺杂

  摘要：

  四硫富瓦烯 (TTF) 导体中自掺杂的合成、表征和载流子生成机制，四硫富瓦烯-2-羧酸铵 (TTFCOO(-)NH(4)(+))，与分子轨道特征一起描述。绝缘 TTFCOOH 变为空穴掺杂导体 TTFCOO(-)NH(4)(+)，电导率为 sigma = 2.0 x 10(-4) S/cm (300 K)，与 NH(3) 形成盐后。自由基物种，TTF(*+)COO(-)NH(4)(+)，是通过 TTF 部分的质子化生成的，如 UV-vis、ESR 和 (1) H NMR 光谱所示。TTFCOO(-)NH(4)(+) 的 X 射线晶体结构揭示了具有短 S...S 接触的 TTFCOO(-) 部分的超分子阵列，由铵组成的一维氢键网络辅助和羧酸根离子。簇模型的分子轨道计算表明，超分子阵列中TTF(*+)COO(-)NH(4)(+)的单占分子轨道(SOMO)不在最高能级，表征为准闭壳状态。具有一维边界条件的

  DOI：

  10.1021/ja809425b

文献信息

• Organic Transparent Electrode, Method for Producing Organic Transparent Electrode, Touch Panel, Display, Organic Metal, Method for Producing Organic Metal, Compound or Salt Thereof, Electric Wire and Electronic Device
  申请人：National Institute for Materials Science

  公开号：US20150005511A1

  公开（公告）日：2015-01-01

  Provided are a compound capable of becoming an organic transparent electrode, etc. One aspect of the present invention relates to an organic transparent electrode, which is configured from an organic molecule having a Brønsted acid functional group, electron-donating properties, and a π-conjugated plane, characterized by being self-assembled. Another aspect of the present invention relates to the organic transparent electrode characterized in that the Brønsted acid functional group is one member selected from among a carboxylic acid functional group, a sulfonic acid functional group, a phosphonic acid functional group and a thiophosphonic acid functional group.

  提供了一种能够成为有机透明电极的化合物等。本发明的一个方面涉及一种有机透明电极，该电极由具有Brønsted酸官能团、电子给予性和π-共轭平面的有机分子构成，其特征在于自组装。本发明的另一个方面涉及所述有机透明电极，其特征在于Brønsted酸官能团为从羧酸官能团、磺酸官能团、膦酸官能团和硫代膦酸官能团中选择的一种。
• ORGANIC SEMICONDUCTOR COMPOUND, SEMICONDUCTOR ELEMENT, SOLAR BATTERY, AND PROCESS FOR PRODUCING ORGANIC SEMICONDUCTOR COMPOUND
  申请人：The University of Tokyo

  公开号：EP2256111A1

  公开（公告）日：2010-12-01

  There is provided a compound or the like which can become a material in which many functions are controllable. A first aspect of the present invention lies in an organic semiconductor compound, characterized in that an organic molecule which becomes a donor is formed by being salt-formed with an inorganic acid or an inorganic base and self assembly is accomplished. According to this configuration, there can be obtained an organic semiconductor compound by a simple technique. A second aspect of the present invention lies in an organic compound, characterized in that a compound containing a tetrathiafulvalene affinity region in a framework thereof and having a protic acid functional group is formed by being induced to a salt with ammonia or a salt with hydroxyamine. According to this configuration, there can be obtained an organic compound in which many functions are controllable.

  本发明提供了一种化合物或类似物，它可以成为多种功能可控的材料。本发明的第一个方面在于一种有机半导体化合物，其特征在于通过与无机酸或无机碱成盐，形成成为供体的有机分子，并完成自组装。根据这种结构，可以通过简单的技术获得有机半导体化合物。本发明的第二个方面在于一种有机化合物，其特征在于，通过用氨或羟胺诱导成盐，在其框架中形成含有四噻吩亲和区并具有质酸官能团的化合物。根据这种结构，可以得到一种多种功能可控的有机化合物。
• ORGANIC TRANSPARENT ELECTRODE, METHOD FOR PRODUCING ORGANIC TRANSPARENT ELECTRODE, TOUCH PANEL, DISPLAY, ORGANIC METAL, METHOD FOR PRODUCING ORGANIC METAL, COMPOUND OR SALT THEREOF, ELECTRIC WIRE AND ELECTRONIC DEVICE
  申请人：National Institute for Materials Science

  公开号：EP2793235A1

  公开（公告）日：2014-10-22

  Provided are a compound capable of becoming an organic transparent electrode, etc. One aspect of the present invention relates to an organic transparent electrode, which is configured from an organic molecule having a Brønsted acid functional group, electron-donating properties, and a π-conjugated plane, characterized by being self-assembled. Another aspect of the present invention relates to the organic transparent electrode characterized in that the Brønsted acid functional group is one member selected from among a carboxylic acid functional group, a sulfonic acid functional group, a phosphonic acid functional group and a thiophosphonic acid functional group.

  本发明提供了一种能够成为有机透明电极的化合物等。本发明的一个方面涉及一种有机透明电极，它是由具有勃氏酸官能团、电子捐赠特性和π-共轭平面的有机分子配置而成，其特征在于它是自组装的。本发明的另一方面涉及有机透明电极，其特征在于布氏酸官能团是从羧酸官能团、磺酸官能团、膦酸官能团和硫代膦酸官能团中选出的一个成员。
• EP2256111
  申请人：——

  公开号：——

  公开（公告）日：——
• Hydrogen-bonding tetrathiafulvalene (TTF) conductors: Carrier generation by self-doping
  作者：Y. Kobayashi、M. Yoshioka、K. Saigo、D. Hashizume、T. Ogura

  DOI：10.1016/j.physb.2009.10.049

  日期：2010.6

  A salt-bridge-type hydrogen bonding salt ammonium tetrathiafulvalene-2-carboxylate (TTFCOO(-)NH(4)(+)) has a conductivity of 2 2 x 10(-4)S/cm at 300 K TTFCOO(-)NH(4)(+) is neither a charge transfer complex nor an ion-radical salt suggesting that it is a new type of molecular conductor The carrier generation mechanism in TTFCOO(-)NH(4)(+) was investigated using spectroscopic analysis The crystal structure of TTFCOO(-)NH(4)(+) was determined using powder X-ray crystallography The TTF moiety is stacked in one dimension with a helical columnar hydrogen-bonded network and S S contacts forming a two-dimensional Intermolecular interaction in a supramolecular TTF array Molecular orbital calculations showed that the SOMO of the embedded radical is in a quasi-closed shell configuration (an f-electron-like configuration) suggesting a stabilization of the unpaired electron in the molecular array in the solid The AC conductivity of TTFCOO(-)NH(4)(+) and the deuterium-substituted TTFCOO(-)ND(4)(+) compound shows a large isotope effect below 200 K implying a correlation between the salt-bridge hydrogen bonding moiety and the transport phenomena (C) 2009 Elsevier B V All rights reserved