1,2-ethylenebis(4-tetradecachlorotriphenylmethyl) diradical | 85632-68-4

• 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: 1,2-ethylenebis(4-tetradecachlorotriphenylmethyl) diradical
• 英文别名: 4,4'-ethylenebis(tetradecachlorotriphenylmethyl) diradical；1,2-Ethylenebis(4-tetradecachlorotriphenylmethyl)
• CAS: 85632-68-4
• 化学式: C₄₀H₄Cl₂₈
• 分子量: 1477.16
• InChiKey: LCIGRDBITNYQCE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  27.81
• 重原子数：
  68.0
• 可旋转键数：
  9.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.05
• 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：

  四丁基氢氧化铵 、 1,2-ethylenebis(4-tetradecachlorotriphenylmethyl) diradical 以 四氢呋喃 为溶剂， 反应 2.0h， 以78%的产率得到Tetra-n-butylammonium 1,2-Ethylenebis(4-tetradecachlorotriphenylmethide)
  参考文献：
  名称：

  Spin-charge exchange in allodial radical ions, a novel intramolecular single electron transfer equilibrium

  摘要：

  The intramolecular single-electron transfer in radical anions and radical cations, constituted by two identical triphenylmethyl moieties, has been studied. The preparation of the radical ions has been effected by mixing the corresponding stable diions (tetra-n-butylammonium or hexachloroantimonate salts) and chemically inert diradicals: by partial oxidation of the dianion salts with iodine (radical anions) and by partial oxidation of the diradicals with SbCl5 (radical cations). The ESR C-13 hyperfine coupling constants and linewidths and UV-vis absorptivity spectra afford compelling evidence for a rapid spin-charge exchange equilibrium:(C6Cl5)2C-C6Cl4-Sp-C6Cl4-C(C6Cl5)2 = (C6Cl5)2C-C6Cl4-Sp-C6Cl4-C(C6Cl5)2(Sp = none, CH2CH2, C=C. * = -, +). Relevant structural aspects, such as steric inhibition of resonance, electron paths, and counterion involvement, are discussed. The synthesis and isolation of related disalts from the corresponding diradicals are also described.

  DOI：

  10.1021/jo00001a042
• 作为产物：
  描述：

  十四氯-4-甲基三苯基甲基 在 过氧化氢苯甲酰 、 碘 作用下， 以 邻二氯苯 为溶剂， 反应 19.0h， 以74%的产率得到1,2-ethylenebis(4-tetradecachlorotriphenylmethyl) diradical
  参考文献：
  名称：

  Inert carbon free radicals. 7. The (kinetic) reverse effect and relevant synthesis of new monofunctionalized triphenylmethyl radicals and their nonradical counterparts

  摘要：

  DOI：

  10.1021/jo00363a013

文献信息

• Influence of a free radical substituent on reactivity (reverse effect). Results involving benzylic systems
  作者：M. Ballester、J. Veciana、J. Riera、J. Castañer、C. Rovira、O. Armet

  DOI：10.1016/s0040-4039(00)85576-8

  日期：1982.1

  The first examples of the influence of the free radical character on the reactivity of a non-radical substituent in the radical molecule (reverse effect) are reported. They include thermolysis, reductive dimerization and bromination, involving radicals related to perchlorotriphenylmethyl.

  报道了自由基特征对自由基分子中非自由基取代基的反应性（反作用）的影响的第一个例子。它们包括热解，还原二聚和溴化，涉及与全氯三苯甲基有关的自由基。
• BALLESTER, MANUEL;PASCUAL, ISABEL;RIERA, JUAN;CASTANER, JUAN, J. ORG. CHEM., 56,(1991) N, C. 217-225
  作者：BALLESTER, MANUEL、PASCUAL, ISABEL、RIERA, JUAN、CASTANER, JUAN

  DOI：——

  日期：——