| 1620589-21-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1620589-21-0
• 化学式: C₆₂H₁₀₄AgN₈*ClO₄
• 分子量: 1168.88
• InChiKey: SIOQUZUFWLJGIK-XZZPDUGTSA-M

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

• 作为产物：
  描述：

  1-dodecyl-2-(phenylazo)imidazole 、 silver perchlorate 以 甲醇 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Synthesis, structure, photochromism, mesogenic property and DFT computations of silver(I) complexes of long chain alkyl group containing 1-alkyl-2-(arylazo)imidazoles

  摘要：

  The complexes [Ag(Raai-C-n,H2n+1)]ClO4 (where Raai-CnH2n+1 refer to 1-alkyl-2-(arylazo)imidazoles; R = H, Me and n = 4-22 (even numbers)) have been characterized by spectroscopic studies (UV-Vis, FT-IR, H-1 NMR). The X-ray structure of [Ag(Haai-C22H45)(2)]ClO4 confirms a distorted tetrahedral geometry. UV light irradiation (365-370 nm) of an acetonitrile solution of [Ag(Raai-CnH2n+1)(2)]ClO4 shows E-to-Z (trans-to-cis) isomerization of the coordinated Raai-CnH2n+1 group. The reverse transformation, Z-to-E (cis-to-trans), is very slow upon visible light irradiation, but becomes significantly faster on increasing the temperature (298-313 K). The rates and quantum yields (phi(E -> Z)) of the E-to-Z isomerization of the free ligands are higher than those of the complexes, which have proved the effect of rotor volume, rotor mass and the 1-alkyl chain length (-CnH2n+1)center dot[Ag(Haai-C18H37)(2)]ClO4 shows a metallomesogenic property and undergoes phase transitions: the Cr (46.7 degrees C) - SmC (106.4 degrees C) - I phase sequence on heating and I (106.4 degrees C) - SmA (46.4 degrees C) - Cr on cooling. The SmC phase appears as the typical fan-shaped texture. DFT computations on the optimized structure were carried out to explain the spectral properties. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2014.04.066