[Al(OH)(4,4′-benzophenonedicarboxylate)] | 1421694-86-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [Al(OH)(4,4′-benzophenonedicarboxylate)]
• 英文别名: Al(OH)(4,4'-benzophenonedicarboxylate)；Al(OH)(BPDC)；CAU-8
• CAS: 1421694-86-1
• 化学式: Al*C₁₅H₈O₅*HO
• 分子量: 312.214
• InChiKey: FFYFEWXMTFANDJ-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -0.91
• 重原子数：
  22.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  127.33
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  乙醇 、 [Al(OH)(4,4′-benzophenonedicarboxylate)] 反应 10.0h， 生成 CAU-8/I
  参考文献：
  名称：

  CAU-8的瞬态吸收光谱和光化学反应性

  摘要：

  CAU-8是一种金属有机骨架，其组成为[Al（OH）（BPDC）]（BPDC：4,4'-二苯甲酮二羧酸酯），其结构由角共享AlO 6的链构成八面体通过BPDC链接器连接，从而产生了一系列不相交的通道。根据二苯甲酮的众所周知的光化学行为，在本研究中，我们已经获得了CAU-8的光化学反应性的光谱证据，包括与任何一个电子供体（三乙胺）反应的短寿命三重激发态的产生。或氢供体（异丙醇）并分别导致相应的自由基阴离子或酮基自由基。这两种物质在CAU-8中的半衰期很长，并且在激光脉冲后数百微秒内它们的衰变还不完全。BPDC接头在CAU-8中的光化学活性已用于促进自由基诱导的苯乙烯（共）聚合，并且IRDC跟踪了BPDC和乙醇的偶联。

  DOI：

  10.1039/c4tc02518k
• 作为产物：
  描述：

  aluminum(III) sulphate octadecahydrate 、 二苯甲酮-4,4'-二甲酸 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 14.0h， 生成 [Al(OH)(4,4′-benzophenonedicarboxylate)]
  参考文献：
  名称：

  First Keto-Functionalized Microporous Al-Based Metal–Organic Framework: [Al(OH)(O₂C-C₆H₄-CO-C₆H₄-CO₂)]

  摘要：

  Based on the V-shaped linker molecule 4,4'-benzophenonedicarboxylic acid, the new carbonyl-functionalized metal-organic framework (MOF) [Al(OH)-(O2C-C6H4-CO-C6H4-CO2)], denoted as CAU-8, was discovered employing high-throughput methods. The compound is obtained from 4,4'-benzophenonedicarboxylic acid, Al-2(SO4)(3)center dot 18H(2)O in a mixture of N,N-dimethylformamide (DMF) and water under solvothermal conditions. The structure was determined from single-crystal X-ray diffraction data (14(1)/a, a = b = 13.0625(5), c = 52,565(2) angstrom). The framework is based on infinite inorganic building units of trans-connected, corner-sharing AlO6-polyhedra. Parallel Al-O-chains are arranged in layers perpendicular to [001]. Within a layer an interchain distance of similar to 1.1 nm is observed. The orientation of the Al-O-chains within neighboring layers is perpendicular to each other, along [100] and [010], respectively, and an ABCDA stacking of these layers is observed. The interconnection of these orthogonally oriented chains by the V-shaped dicarboxylate ions results in the formation a three-dimensional framework structure containing one-dimensional channels with a diameter of about 8 angstrom. The pore walls are lined by the keto-groups. CAU-8 was thoroughly characterized by X-ray powder diffraction (XRPD), thermogravimetric measurements, IR- and Raman-spectroscopy, elemental analysis, and gas sorption experiments using N-2 and H-2 as adsorptives. CAU-8 is stable up to 350 degrees C in air and exhibits a moderate porosity with a specific surface area of S-BET = 600 m(2)/g and a micropore volume of 0.23 cm(3)/g. Moreover, a detailed topological analysis of the framework was carried out, and an approach for the topological analysis of MOFs based on infinite 1-periodic building units is proposed.

  DOI：

  10.1021/ic301961q

文献信息

• Polymorphous Al-MOFs Based on V-Shaped Linker Molecules: Synthesis, Properties, and in Situ Investigation of Their Crystallization
  作者：Martin Krüger、A. Ken Inge、Helge Reinsch、Yuan-Han Li、Mohammad Wahiduzzaman、Chia-Her Lin、Sue-Lein Wang、Guillaume Maurin、Norbert Stock

  DOI：10.1021/acs.inorgchem.7b00202

  日期：2017.5.15

  Replacing H2BPDC by 4,4′-oxydibenzoic acid (H2ODB), which contains an oxygen atom between the phenyl rings instead of a keto group, leads to the synthesis of Al-MOFs isoreticular with CAU-8-BPDC and CAU-21-BPDC. In addition, a coordination polymer, [Al(HODB)2(OH)], was discovered and structurally characterized. The structure of CAU-8-ODB was refined from powder X-ray diffraction data, while a Pawley refinement

  在存在各种添加剂的情况下，对系统Al 3+ / 4,4'-二苯甲酮二羧酸（H 2 BPDC）/ DMF / H 2 O进行了原位和系统的高通量研究，并开发了一种新的Al-MOF获得了表示为CAU-21-BPDC的组成[Al（OH）（BPDC）]的样品。其晶体结构是由单晶X射线衍射数据来确定（空间群我422，一个= b = 17.2528（7），C ^ = 23.864（1）埃）。该结构是由形成无机建筑单元（IBU）的顺角共享AlO 6多面体的八角环构成的。这些Al 8 O 8 } IBU排列在bcu中通过BPDC 2-离子进行填充和连接，每个IBU通过两个连接分子连接到八个相邻IBU中的每个。因此，形成了直径在3.6至6.5埃之间的可接近的一维调制孔。此外，BPDC 2-连接分子形成了四面体空腔。CAU-21-BPDC的框架与CAU-8-BPDC的框架是多态的，CAU-8-BPDC包含通过BPDC