triethylgallium diethyl etherate | 117533-88-7

• 英文名称: triethylgallium diethyl etherate
• 英文别名: triethylgallium etherate
• CAS: 117533-88-7
• 化学式: C₁₀H₂₅GaO
• 分子量: 231.031
• InChiKey: SSHCDCYDGLGYPT-UHFFFAOYSA-N

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

• 作为反应物：
  描述：

  triethylgallium diethyl etherate 、 2-(2-羟基苯基)-1H-苯并咪唑 以 苯 为溶剂， 反应 5.0h， 生成 [Et₂Ga(hbi)]
  参考文献：
  名称：

  苯并唑配体的二有机镓和铟配合物：合成，表征，光致发光和计算研究

  摘要：

  三有机镓和-铟铟与苯并唑配体2-（2'-羟基苯基）苯并恶唑（Hhbo）（1a），2-（2'-羟基苯基）苯并噻唑（Hhbt）（1b）和2-（2 ' -羟基苯基）苯并咪唑（Hhbi）（1C中所述类型的苯，得到复合物）[R 2 ML] ñ与ñ = 1镓和2为铟（其中R =甲基，乙基; M =镓，铟; L = hbo，hbt和hbi）以接近定量的方式获得。这些络合物已通过元素分析，IR，UV-vis和NMR（1 H和13 C { 1H}）光谱学。这些配合物的光致发光研究表明，由于与自由配体相比，配合物中分子间的相互作用降低，因此量子产率始终高于相应配体的量子产率。通过X射线晶体学建立了[Me 2 Ga（hbo）]（2a）和[Me 2 In（μ-hbt）] 2（3b）的分子结构。分析表明，镓配合物以四配位单体存在，而铟配合物形成包含五配位铟原子的二聚体。已经进行了密度泛函计算，以计算配合物的结构和能

  DOI：

  10.1021/om300855x
• 作为产物：
  描述：

  、 乙醚 、 碘乙烷 生成 triethylgallium diethyl etherate
  参考文献：
  名称：

  Synthesis, characterization, photoluminescence and computational studies of mono- and diorgano-gallium complexes containing azo linked salicylaldimine Schiff bases

  摘要：

  The reactions of triorgano-gallium etherate with azo linked salicylaldimine Schiff bases in benzene gave complexes of the type [R2GaOC6H3(N=NPh) (CH=NAr)], [R2GaOC6H3(N=NPh) (CH=NCH2-)](2), [{R2GaOC6H3(N=NPh) (CH=NCH2CH2}(3)N] and [C6H5-N=N-C6H3(4'-OGaRO)-3'-CH=N-C6H4] (R = Me or Et; Ar = Ph or tol-4). These complexes have been characterized by elemental analysis, IR, UV-Vis, NMR (H-1 and C-13{H-1}) spectroscopy. The molecular structures of [Me2GaOC6H3(N=NPh)CH=NPh].1/2C(6)H(6) (5a.1/2C(6)H(6)) and [Me2GaOC6H3(N=NPh) (CH=Ntol-4)] (5c) were established by X-ray crystallography. Density functional calculations have also been performed to obtain structure and energetic information for the bare ligands and the metal-ligand complexes. Photoluminescence studies of these complexes showed that the quantum yield is always higher than that of the corresponding ligands and the emission peaks of complexes are blue shifted with respect to ligand. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2014.10.024

文献信息

• Synthesis, Characterization, Photoluminescence, and Computational Studies of Monoorgano-Gallium and -Indium Complexes Containing Dianionic Tridentate ONE (E = O or S) Schiff Bases
  作者：Nisha Kushwah、Manoj K. Pal、Amey Wadawale、V. Sudarsan、Debashree Manna、Tapan K. Ghanty、Vimal K. Jain

  DOI：10.1021/om201030d

  日期：2012.5.28

  The reactions of triorgano-gallium and -indium etherate with dianionic tridentate Schiff bases (2-hydroxy-N-salicylideneaniline (1a), 2-hydroxy-N-(2-hydroxy-3-methoxybenzylidene)aniline (1b), and 2-mercapto-N-salicylideneaniline (1c)) in benzene yielded complexes of the type [RMO(2-C6H3R'-3)-CH=N(2-C6H4)E}] (where R = Me, Et; M = Ga, In; R' = H, OMe; E = O, S) in nearly quantitative yields. These complexes have been characterized by elemental analysis, IR, UV-vis, and NMR (H-1 and C-13H-1}) spectroscopy. The molecular structures of [MeGa(-O(2-C6H4)-CH=N(2-C6H4)center dot O-)] (2a) and [MeGa(-O(2-C6H3OMe-3)center dot CH=N(2-C6H4)-O-)] (2b) were established by X-ray crystallography. Photoluminescence data of these complexes showed that the quantum yield was mainly affected by the substituent/groups attached to the phenyl moiety of the ligands rather than the metal atom. Density functional theory calculations have been used to assess all the possible structures and to evaluate the complexation energies corresponding to NeMO(2-C6H4)-CH=N(2-C6H4)E}] (M = Ga, In; E = O, S) complexes.