A Molecular Gyrotop | 1391621-47-8

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: A Molecular Gyrotop
• 英文别名: (8E,23E,37E)-1,16-disilatetracyclo[14.14.14.41,16.245,48]pentaconta-8,23,37,45,47,49-hexaene
• CAS: 1391621-47-8
• 化学式: C₄₈H₈₂Si₂
• 分子量: 715.35
• InChiKey: FSESYWWBSYYOPP-CRQXNEITSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.41
• 重原子数：
  50
• 可旋转键数：
  0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  p-bis(tri-7-octenyl)silylbenzene 在 Grubbs catalyst first generation 作用下， 以 二氯甲烷 为溶剂， 以24%的产率得到A Molecular Gyrotop
  参考文献：
  名称：

  A Molecular Balloon: Expansion of a Molecular Gyrotop Cage Due to Rotation of the Phenylene Rotor

  摘要：

  A macrocage molecule with a bridged phenylene rotor has been reported as a molecular gyrotop, because the rotor can rotate even in a crystalline state. Although the most stable cage structure of the molecular gyrotop in a crystal was folded and shrunken at low temperature, expansion of the cage was observed at high temperature due to rapid rotation of the phenylene in a crystal. This phenomenon is analogous to the deflation and inflation of a balloon. Moreover, the unusually large thermal expansion coefficient of the crystal was estimated in the temperature range in which the expansion of the cage was observed, indicating a new function of dynamic states of the molecules.

  DOI：

  10.1021/ja305822e