1-(Mes2B)-4-(2-Ph-1,2-C2B10H10)benzene | 1220020-64-3

• 英文名称: 1-(Mes2B)-4-(2-Ph-1,2-C2B10H10)benzene
• 英文别名: 1-(Mes2B)-4-(2-Ph-o-carboran-1-yl)benzene
• CAS: 1220020-64-3
• 化学式: C₃₂H₄₁B₁₁
• 分子量: 544.599
• InChiKey: YBQJERKCBBJAHA-UHFFFAOYSA-N

计算性质

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

• 作为反应物：
  描述：

  1-(Mes2B)-4-(2-Ph-1,2-C2B10H10)benzene 、 四丁基氟化铵 以 四氢呋喃 为溶剂， 反应 48.0h， 以80%的产率得到
  参考文献：
  名称：

  氨基碳硼烷：热激活延迟荧光的供体

  摘要：

  提出了一种设计可以显示热激活延迟荧光（TADF）的基于氨基碳烷的发光化合物的方法。具有各种8-R基团（R = H，Me，i- Pr，Ph）的7,8-二氨基甲酰基-十一碳烷（nido -carboranes）附加在二聚三苯基硼烷（PhBMes）的苯环的间位或对位2）受体，形成供体-受体化合物（nido - m1 - m4和nido - p1 - p4）。庞大的8-R基团和nido的间位取代-carborane是必不可少的以获得供体和受体部分之间的高度扭曲排列，导致单线之间一个非常小的能量分裂和三重激发态（Δ Ë ST <0.05电子伏特为巢-平方米， -立方米，以及- P3） 。这些化合物表现出有效的TADF，且具有微秒级的寿命。特别地，巢-平方米和-立方米显示聚集诱导的发射（AIE）与TADF性质。

  DOI：

  10.1002/anie.201806922
• 作为产物：
  描述：

  1-(4-bromophenyl)-2-phenyl-1,2-closo-carborane 、 二(三甲苯基)氟化硼 在 Li(CH₂)3CH₃ 作用下， 以 乙醚 为溶剂， 以45%的产率得到1-(Mes2B)-4-(2-Ph-1,2-C2B10H10)benzene
  参考文献：
  名称：

  o-Carborane-assisted Lewis acidity enhancement of triarylboranes

  摘要：

  在三芳基硼烷中引入邻碳硼烷笼显着增强了硼原子的路易斯酸性，导致氟离子亲和力大幅增加。

  DOI：

  10.1039/b918263b

文献信息

• Photochemistry of hybrid organic–inorganic triarylborane-o-carboranes
  作者：So-Yoen Kim、Ah-Rang Lee、Yang-Jin Cho、Ho-Jin Son、Won-Sik Han、Sang Ook Kang

  DOI：10.1016/j.jorganchem.2015.04.025

  日期：2015.12

  Para- and meta-substituted o-carboranes with a dimesityl(phenyl)borane (dmpb) group, namely, p-1, p-2, m-1, and m-2, were prepared and their electronic natures were evaluated by steady-state photo-physical methods. It was found that excited states were greatly influenced by the linking position of the dimesityl-borane group(s) at the phenyl unit of diphenyl-o-carboranes. While intramolecular charge-transfer (ICT) prevails in both para-and meta-regioisomers, para-isomers show much enhanced ICT character, as evidenced by observation of a new emission band at lambda(max) approximate to 570 nm in dichloromethane (DCM) solution. Furthermore, the solvatochromic shifts, Delta upsilon(f), from n-hexane to DCM were significantly different for para-and meta-isomers, which showed 8105, 8184, 1834, and 1895 cm(-1) for p-1, p-2, m-1, and m-2, respectively. The difference in dipole moment between ground and excited states for para-(similar to 31.8 D) and meta-isomers (similar to 15.0 D) by using Mataga-Lippert plot confirmed that the ICT occurs from dimesityl-borane to o-carborane in para-isomers while the ICT occurs only from dimesityl-borane to the bridged phenyl group in meta-isomers. Excited state estimation by electrochemical and DFT studies corroborated well to the ICT character, and even with engagement of the strong electron withdrawing dimesityl-borane group o-carborane unit still acts as an electron accepter as found in the para-isomers, p-1 and p-2. (C) 2015 Elsevier B.V. All rights reserved.