tetrakis(3-carboxyphenyl)silicon | 31825-57-7

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物 - 环羧酸
• 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: tetrakis(3-carboxyphenyl)silicon
• 英文别名: 3,3',3'',3'''-Silanetetrayltetrabenzoic acid；3-tris(3-carboxyphenyl)silylbenzoic acid
• CAS: 31825-57-7
• 化学式: C₂₈H₂₀O₈Si
• 分子量: 512.548
• InChiKey: TXYNHBNNPJZOEA-UHFFFAOYSA-N

物化性质

• 沸点：
  779.6±60.0 °C(Predicted)
• 密度：
  1.48±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.86
• 重原子数：
  37
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  149
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  ammonium hydroxide 、 zinc uranyl acetate heptahydrate 、 tetrakis(3-carboxyphenyl)silicon 以 水 为溶剂， 反应 72.0h， 以12%的产率得到
  参考文献：
  名称：

  Interpenetrated Uranyl–Organic Frameworks with bor and pts Topology: Structure, Spectroscopy, and Computation

  摘要：

  Two novel three-dimensional interpenetrated uranyl-organic frameworks, (NH4)(4)[(UO2)(4)(L-1)(3)] center dot 6H(2)O (1) and [(UO2)(2)(H2O)(2)L-2]center dot 2H(2)O (2), where L-1 = tetrakis(3-carboxyphenyl)silicon and L-2 = tetrakis(4-carbOxyphenyl)silicon, were synthesized by a combination of two isomeric tetrahedral silinon-centered ligands with 3-connected triangular [(UO2)(COO)(3)](-) and 4-connected dinuclear [(UO2)(2)(COO)(4) ] units, respectively. Structural analyses indicate that 1,possesses a 2-fold interpenetrating anion bor-network, while 2 exhibits a 3-fold interpenetrated 4,4-connected neutral network with pts topology. Both compounds were characterized by thermogravirrietric analysis and-IR, UV-vis, and photoluminescence spectroscopy. A relativistic density functional theory (DFT) investigation on 10 model compounds of 1 and 2 shows good agreement of the structural parameters, stretching vibrational frequencies, and absorption with experimental results; the time-dependent DFT calculations unravel that low-energy absorption bands originate from ligand-to-uranium charge transfer.

  DOI：

  10.1021/acs.inorgchem.7b02274

文献信息

• Assemblies of metal–organic frameworks based on a tetrapodal linker for luminescence sensing of tetrahydrofuran
  作者：Chao-Ying Gao、Dan Wang、Jian-Ping Li、Yuan Wang、Weiting Yang

  DOI：10.1039/c6ce00169f

  日期：——

  N-dimethylformamide]. Single crystal X-ray diffraction analyses reveal that 1 is a three-dimensional framework structure based on 5-connected [Zn2(OH)]3+ secondary building units (SBUs) and the silicon-centred tetrahedral ligands. 2 features a one-dimensional architecture constructed from trinuclear [Zn3(OH)2(phen)2]4+ SBUs and 2-connected tetracarboxylate ligands. The structures of 3–5 are similar, which

  Zn（II）/ Co（II）/ Ni（II）离子和刚性以硅为中心的四面体配体四（3-羧苯基）硅（H 4 L）的溶剂热组装，产生五个金属有机骨架，配制成[Zn 2（OH）（dib）0.5（HL）]·H 2 O·2DMF（1），Zn 3（OH）2（phen）2（H 2 L）2（2），[Co 2（OH） （H 2 O）3（DMF）（HL）]·H 2 O·2DMF（3），[Co 2（OH）（H 2O）（phen）（DMF）（HL）] H 2 O·DMF（4）和[Ni 2（OH）（H 2 O）2（DMF）2（HL）] H 2 O·DMF（5）[phen ＝ 1，10-菲咯啉，dib ＝ 1，4-二（1H-咪唑-1-基）苯，DMF ＝N，N-二甲基甲酰胺]。单晶X射线衍射分析表明1是基于5个连接的[Zn 2（OH）] 3+二级建筑单元（SBU）和以硅为中心的四面体配体的三维框架结构。2的特征是由三核[Zn3（OH）