tetracyanoethylene*hexamethylbenzene | 2605-01-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: tetracyanoethylene*hexamethylbenzene
• 英文别名: tetracyanoethylene hexamethylbenzene complex；Ethene-1,1,2,2-tetracarbonitrile;1,2,3,4,5,6-hexamethylbenzene
• CAS: 2605-01-8
• 化学式: C₆N₄*C₁₂H₁₈
• 分子量: 290.368
• InChiKey: AFGHCXWVCFJQNS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.91
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  95.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tetracyanoethylene*hexamethylbenzene 生成 六甲基苯 、 四氰基乙烯
  参考文献：
  名称：

  六甲基苯与四氰基乙烯的1：1和2：1配合物的光学和共振拉曼研究

  摘要：

  DOI：

  10.1021/j100265a015
• 作为产物：
  描述：

  六甲基苯 、 四氰基乙烯 以 二氯甲烷 为溶剂， 生成 tetracyanoethylene*hexamethylbenzene
  参考文献：
  名称：

  Application of Time-Dependent Raman Theory to Raman Excitation Profiles of Hexamethylbenzene-Tetracyanoethylene Electron Donor-Acceptor Complex

  摘要：

  Raman excitation and absorption profiles were obtained for the 1:1 electron donor-acceptor complex of hexamethylbenzene with tetracyanoethylene in dichloromethane solution, The absorption and Raman profiles were analyzed using the time-dependent theory of Heller to obtain the displacements and non-Condon factors for the four strongest Raman modes, the electronic excitation energy, the transition dipole, and solvent line-broadening parameters. The results are compared to the data reported by Myers et al (J, Am. Chem, Sec. 1992, 114, 6208) for the same complex in carbon tetrachloride solution. Attempts to account for solvent effects on the normal-mode displacements in terms of the solvent local field lead are complicated by the effect of the solvent on the structure of the complex, We propose that in CH2Cl2 but not in CCl4, the complex adopts a low-symmetry ground-state geometry which permits vibronic coupling of the charge-transfer and locally excited (TCNE) states.

  DOI：

  10.1021/j100017a014

文献信息

• Memory devices based on electric field programmable films
  申请人：The Regents of the University of California

  公开号：EP1513159A2

  公开（公告）日：2005-03-09

  A composition for the formation of an electric field programmable film, the composition comprising a matrix precursor composition or a dielectric matrix material, wherein the dielectric matrix material comprises an organic polymer and/or an inorganic oxide; and an electron donor and an electron acceptor of a type and in an amount effective to provide electric field programming. The films are of utility in data storage devices.

  一种用于形成电场可编程薄膜的组合物，该组合物包括基质前体组合物或介电基质材料，其中介电基质材料包括有机聚合物和/或无机氧化物；以及电子供体和电子受体，其类型和数量可有效提供电场编程。这些薄膜可用于数据存储设备。
• Cyanocarbon Chemistry. II.¹ Spectroscopic Studies of the Molecular Complexes of Tetracyanoethylene
  作者：R. E. Merrifield、W. D. Phillips

  DOI：10.1021/ja01544a052

  日期：1958.6
• Fedotov, A. N.; Gol'dshtein, I. P.; Il'ina, I. G., Journal of general chemistry of the USSR, 1982, vol. 52, # 10, p. 2053 - 2060
  作者：Fedotov, A. N.、Gol'dshtein, I. P.、Il'ina, I. G.、Gur'yanova, E. N.

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: C: MVol.D1, 12.6, page 112 - 117
  作者：

  DOI：——

  日期：——
• US7274035B2
  申请人：——

  公开号：US7274035B2

  公开（公告）日：2007-09-25