[In(III)(2,2'-dihydroxy-1,1'-binaphthyl-3,3'-dicarboxylate)2]n | 1174500-97-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: [In(III)(2,2'-dihydroxy-1,1'-binaphthyl-3,3'-dicarboxylate)2]n
• CAS: 1174500-97-0
• 化学式: C₂₂H₁₂O₆*C₂₂H₁₃O₆*In
• 分子量: 860.495
• InChiKey: UPJCJOCHIAJTOD-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  4.55
• 重原子数：
  57.0
• 可旋转键数：
  6.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  238.61
• 氢给体数：
  5.0
• 氢受体数：
  11.0

反应信息

• 作为产物：
  描述：

  indium(III)trichloride tetrahydrate 、 2,2'-二羟基-1,1'-联萘-3,3'-二甲酸 在 4,4'-trimethylenedipiperidine 作用下， 以 甲醇 、 水 为溶剂， 以60%的产率得到[In(III)(2,2'-dihydroxy-1,1'-binaphthyl-3,3'-dicarboxylate)2]n
  参考文献：
  名称：

  Solvothermal syntheses and structures of indium(III)-binaphthalenyl dicarboxylate complexes with yellow/blue luminescence

  摘要：

  Two novel In(III) complexes, [In(bna)(Hbna)](n) (1) and [In-2(bna)(2)(mu(2)-OH)(2)](n)center dot 4nH(2)O (2) (H(2)bna = 2.2'-dihydroxy-1,1'-binaphthyl-3,3'-dicarboxylate acid), have been reported. Complex 1 adopts a 2D layer structure, where each layer composed from homochiral ligands is chiral while the ligands in two neighboring layers are enantiomer. Complex 2 is constructed by individual -In-O-In- chains, which are further connected by bna(2-) into a 3D honeycomb framework. As a derivative of H(2)bna ligand, dmbna (3) was recrystallized for structurally comparison with 1-2 (dmbna = dimethyl 2,2'-dihydroxy-1,1'-binaphtllyl-3,3'-dicarboxylate). X-ray powder diffractions (XRD) and thermogravimetric analyses (TGA) for 1-2 show that they are highly thermally stable in the solid state. Complexes 1 and 2 exhibit the intense yellow luminescence at 573 nun and blue luminescence at 459 nm at room temperature, respectively. And an astonishing blue shift of 105 nm is observed for complex 1 when it is measured at 10 K. (C) 2009 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jssc.2009.03.019