adamantylammonium tetrafluoroborate | 65234-76-6

• 英文名称: adamantylammonium tetrafluoroborate
• 英文别名: (adamanthylammonium)(1+)(BF4)(1-)；(ADNH3(1+))(BF4)(1-)
• CAS: 65234-76-6
• 化学式: BF₄*C₁₀H₁₈N
• 分子量: 239.064
• InChiKey: RWWQINXGNAWTKD-SOVZANNPSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  18-冠醚-6 、 tetrabutylammonium bis(1,3-dithiole-2-thione-4,5-dithiolate)niccolate(III) 、 adamantylammonium tetrafluoroborate 以 乙腈 为溶剂， 生成 (adamanthylammonium)(1+)([18]crown-6)Ni(2-thione-1,3-dithiole-4,5-dithiolate)2](1-)
  参考文献：
  名称：

  Supramolecular Rotor:  Adamantylammonium([18]crown-6) in [Ni(dmit)₂]^- Salt

  摘要：

  Adamantylammonium (ADNH(3)(+)) was complexed with [18]crown-6, forming a supramolecular cation of (ADNH(3)(+))([18]crown6), which was introduced into a [Ni(dmit)(2)](-) salt as a supramolecular rotor. The cation layers were alternately arranged with [Ni(dmit)(2)](-) layers in the crystal, in which the molecular rotation of (ADNH(3)(+))([18]crown-6) was confirmed from the temperature-dependent solid-state H-1 NMR.

  DOI：

  10.1021/ic061831u

文献信息

• Solid-State Molecular Rotators of Anilinium and Adamantylammonium in [Ni(dmit)₂]⁻ Salts with Diverse Magnetic Properties
  作者：Tomoyuki Akutagawa、Daisuke Sato、Hiroyuki Koshinaka、Masaaki Aonuma、Shin-ichiro Noro、Sadamu Takeda、Takayoshi Nakamura

  DOI：10.1021/ic800271m

  日期：2008.7.7

  rotator-stator structures. X-ray crystal-structure analyses revealed a jackknife-shaped conformation of DB[18]crown-6, in which two benzene rings were twisted along the same direction, in (Ph-NH 3 (+))(DB[18]crown-6)[Ni(dmit) 2] (-) ( 1) and (AD-NH 3 (+))(DB[18]crown-6)[Ni(dmit) 2] (-) ( 3), whereas the conformational flexibility of two dicyclohexyl rings was observed in (Ph-NH 3 (+))(DCH[18]crown-6)[Ni(dmit)

  苯胺（Ph-NH 3（+））或金铵（AD-NH 3（+））与二苯并[18] crown-6（DB [18] crown-6）或内消旋二环己基之间的氢键组装体的超分子旋转子[18] crown-6（DCH [18] crown-6）被引入[Ni（dmit）2]盐中（dmit（2-）是2-thioxo-1,3-dithiole-4,5-dithiolate）。Ph-NH 3（+）和AD-NH 3（+）阳离子的铵部分通过NH（+）约O氢键与冠醚的六个氧原子相互作用，形成1：1的超分子转子-定子结构。X射线晶体结构分析表明，在[Ph-NH 3（+））（DB [18] crown中，DB [18] crown-6呈刀形构象，其中两个苯环沿相同方向扭曲。 -6）[Ni（dmit）2]（-）（1）和（AD-NH 3（+））（DB [18] crown-6）[Ni（dmit）2]（-）（3），而在（Ph-NH