1,5-di(acetylthio)naphthalene

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1,5-di(acetylthio)naphthalene
• 英文别名: 1,5-bis(acethylthio)naphthalene；1,5-bis-acetylsulfanyl-naphthalene；1,5-Bis-acetylmercapto-naphthalin；S-(5-acetylsulfanylnaphthalen-1-yl) ethanethioate
• 化学式: C₁₄H₁₂O₂S₂
• 分子量: 276.38
• InChiKey: DMIVWWFHYDVXDO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  84.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  萘-1,5-二磺酰氯 在 盐酸 、 tin(II) chloride dihdyrate 、 三乙胺 作用下， 以 四氢呋喃 、 水 、 溶剂黄146 为溶剂， 生成 1,5-di(acetylthio)naphthalene
  参考文献：
  名称：

  Dependence of Single-Molecule Conductance on Molecule Junction Symmetry

  摘要：

  The symmetry of a molecule junction has been shown to play a significant role in determining the conductance of the molecule, but the details of how conductance changes with symmetry have heretofore been unknown. Herein, we investigate a naphthalenedithiol single-molecule system in which sulfur atoms from the molecule are anchored to two facing gold electrodes. In the studied system, the highest single-molecule conductance, for a molecule junction of 1,4-symmetry, is 110 times larger than the lowest single-molecule conductance, for a molecule junction of 2,7-symmetry. We demonstrate clearly that the measured dependence of molecule junction symmetry for single-molecule junctions agrees with theoretical predictions.

  DOI：

  10.1021/ja2033926

文献信息

• Pollak; Gebauer-Fuelnegg, Monatshefte fur Chemie, 1928, vol. 50, p. 322
  作者：Pollak、Gebauer-Fuelnegg

  DOI：——

  日期：——
• Dependence of Single-Molecule Conductance on Molecule Junction Symmetry
  作者：Masateru Taniguchi、Makusu Tsutsui、Ryoji Mogi、Tadashi Sugawara、Yuta Tsuji、Kazunari Yoshizawa、Tomoji Kawai

  DOI：10.1021/ja2033926

  日期：2011.8.3

  The symmetry of a molecule junction has been shown to play a significant role in determining the conductance of the molecule, but the details of how conductance changes with symmetry have heretofore been unknown. Herein, we investigate a naphthalenedithiol single-molecule system in which sulfur atoms from the molecule are anchored to two facing gold electrodes. In the studied system, the highest single-molecule conductance, for a molecule junction of 1,4-symmetry, is 110 times larger than the lowest single-molecule conductance, for a molecule junction of 2,7-symmetry. We demonstrate clearly that the measured dependence of molecule junction symmetry for single-molecule junctions agrees with theoretical predictions.