[Zn(thiodiacetate)(H2O)]n | 890731-45-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物
• 英文名称: [Zn(thiodiacetate)(H2O)]n
• 英文别名: Zn(thiodiacetato)H2O；[Zn(tda)(H2O)]n；Zn(tda)H2O
• CAS: 890731-45-0
• 化学式: C₄H₄O₄S*H₂O*Zn
• 分子量: 231.545
• InChiKey: PPDJCJOBTHKSMN-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -3.61
• 重原子数：
  11.0
• 可旋转键数：
  4.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  111.76
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  [Zn(thiodiacetate)(H2O)]n 以 neat (no solvent) 为溶剂， 生成 zinc(II) oxide
  参考文献：
  名称：

  Synthesis and Thermal Decomposition of Zn(tda)H₂O [tda = S(CH₂COO)₂^2-]

  摘要：

  A novel two-dimensional coordination polymer Zn(tda)H2O [tda = S(CH2COO)(2)(2-)] was synthesized under hydrothermal conditions. The compound crystallized in monoclinic space group P2(1) with a = 16.4154(17) angstrom, b = 5.2133(6) angstrom, c = 16.4210(17) angstrom, beta = 114.165(2)degrees, V = 1282.1(2) angstrom(3), and Z = 8. The structure features two-dimensional, noncentrosymmetric networks with a pseudohexagonal network of Zn2+ coordinated by tda and water molecules. Zn(tda)H2O decomposed at T > 300 degrees C to form a ZnO sponge with a surface area similar to 40 m(2)/g, which makes it an attractive precursor for nanoporous ZnO.

  DOI：

  10.1021/ic061531c
• 作为产物：
  描述：

  [Zn(thiodiacetate)(H2O)3] 以 水 为溶剂， 生成 [Zn(thiodiacetate)(H2O)]n
  参考文献：
  名称：

  Novel results on thiodiacetate zinc(II) complexes: Synthesis and structure of [Zn(tda)(phen)]2·5H2O

  摘要：

  Novel zinc thiodiacetate complex [Zn(tda)(H2O)](n) (1) (tda = S(CH2COO)(2)(2-)) was obtained from the reaction of aqueous solutions of 2 zinc dichloride with a 1: 1 mixture of Na2CO3 and thiodiacetic acid. Complex 1 is a different hydrate compound with respect to the known species [Zn(tda)(H2O)(3)] center dot H2O. The selective formation of 1 or [Zn(tda)(H2O)(3)] center dot H2O can be achieved by controlling the crystallization conditions and it is even possible to interconvert the two hydrate compounds by fast or slow crystallization processes. The reaction of 1 with o-phenanthroline (phen) gave the dinuclear compound [Zn(tda)(phen)](2) center dot 5H(2)O (2), which was identified by X-ray analysis. The water crystallization molecules are interconnected by hydrogen bonds and they are aligned inside channels, which are parallel to the c-axis. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2005.10.021