| 1334702-15-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1334702-15-6
• 化学式: Br*C₂₁H₁₆PS₂
• 分子量: 443.368
• InChiKey: DRESPUTUELBLGO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.29
• 重原子数：
  25.0
• 可旋转键数：
  3.0
• 环数：
  5.0
• 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：
  2.0

反应信息

• 作为产物：
  描述：

  溴甲苯 、 P-phenyl-dithieno[3,2-b:2',3'-d]phosphole 以 四氢呋喃 、 甲苯 为溶剂， 生成
  参考文献：
  名称：

  自组装“磷脂”的外部刺激响应光物理和液晶特性

  摘要：

  合成了一系列结合磷的电子特征和脂质自组装特征的新型两亲性鏻材料。可变浓度/温度和 2D NMR 研究表明，系统在“封闭”和“开放”形式之间发生分子内构象变化，这是由分子间相互作用触发的。通过差示扫描量热法 (DSC)、偏光显微镜 (POM) 和变温粉末 X 射线衍射 (VT- PXRD）。研究表明，共轭骨架和反阴离子共同作用将系统组织成不同的形态（液晶/软晶体）。迪西诺[3, 由于聚集诱导增强发射 (AIEE)，2-b:2',3'-d] 磷基化合物在固态和低温溶液中表现出增强的发射。可以通过非融合系统主支架内的分子间电荷转移 (ICT) 过程有效抑制通过稠环系统中鏻中心的烷氧基苄基诱导的光致电子转移 (PET)，静态和动态荧光证实了这一点光谱学。这些新材料的动态特性还赋予系统外部刺激响应光物理特性，可以由温度和/或机械力触发。-d]磷基化合物在固态和低温溶液中由于聚集诱导增强发射（AIEE

  DOI：

  10.1021/ja206784f

文献信息

• Structure–Property Studies Toward the Stimuli-Responsive Behavior of Benzyl–Phospholium Acenes
  作者：Yi Ren、Thomas Baumgartner

  DOI：10.1021/ic2026335

  日期：2012.2.20

  A series of new phospholium acenes, quaternized with benzyl groups, was synthesized. Both different pi-conjugated backbones and electron-donating/-withdrawing benzyl groups were systematically studied to reveal details on the nature of their structural dynamics. Extensive NMR studies (including variable concentration/temperature and 2D) suggested that the systems undergo intramolecular conformation changes in solution that are strongly affected by the electronic nature of the benzyl group, and thereby significantly affecting the phosphole-typical sigma*-pi* interaction. This class of "smart" phosphole system exhibits enhanced emission in the solid state and at low temperature in solution, due to aggregation-induced enhanced emission (AIEE). The dynamic features of these smart phospholes also endow the systems with external-stimuli (thermal and mechanical force) responsive photophysical properties. Crystallographic studies and theoretical calculations confirmed that the thermal response of the phospholium system is mainly clue to the conformation changes in solution, while the mechanical response of the system can be attributed to both the intramolecular conformation and the intermolecular organization changes in the solid state.