zinc(II) hexahydrate | 15906-01-1

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 过渡金属有机体
• 英文名称: zinc(II) hexahydrate
• 英文别名: hexaaqua zinc(II) complex；hexaaquazinc(II)；ZINC;hexahydrate
• CAS: 15906-01-1
• 化学式: H₁₂O₆Zn
• 分子量: 173.482
• InChiKey: YFGPKFSJDDFKQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.95
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  6
• 氢给体数：
  6
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2,2'-联吡啶 、 zinc(II) hexahydrate 以 水 为溶剂， 生成 Zn(H2O)4(2,2'-bipyridine)(2+)
  参考文献：
  名称：

  Ducommun, Yves; Laurenczy, Gábor; Merbach, André E., Inorganic Chemistry, 1988, vol. 27, # 7, p. 1148 - 1152

  摘要：

  DOI：
• 作为产物：
  描述：

  zinc(II) nitrate 、 zinc(II) glycinate 在 聚甘氨酸 作用下， 以 水 为溶剂， 生成 zinc(II) hexahydrate 、 tetraaquaglycinatozinc(II) ion
  参考文献：
  名称：

  An X-Ray Diffraction Study on the Structures of Mono(glycinato)zinc(II) and Tris(glycinato)zincate(II) Complexes in Aqueous Solution

  摘要：

  利用 X 射线衍射法研究了溶液中含有甘氨酸离子的锌（II）络合物的结构。测量是在 20 °C 下对 Cgly⁄Czn 摩尔比为 1.49（溶液 A）和 5.09（溶液 B）的溶液进行的，其中 Ci 表示物种 i 的总浓度。通过分析溶液 A 的径向分布曲线（其中存在数量相当的六价和单(甘氨酸)锌(II)络合物）发现，单(甘氨酸)锌(II)络合物与四个水分子的结合距离为 (2.12±0.01) Å，络合物内的 Zn-OH2 键长度比六价锌(II)离子内的 Zn-OH2 键长度（2.08 Å）长。单（甘氨酸）锌（II）络合物具有规则的八面体结构。溶液 B 主要含有[Zn(gly)3]-离子，其 X 射线衍射数据显示三（甘氨酸）锌酸盐（II）配合物具有规则的八面体结构，Zn-O 和 Zn-N 键的距离均为（2.非键Zn--C(COO)、Zn--C(CH2)和Zn--O(O=C)的长度分别为(2.87±0.03)埃、(2.93±0.03)埃和(4.10±0.04)埃。双（甘氨酸）锌（II）络合物的溶解度很低，因此无法用目前的 X 射线衍射方法确定其结构。

  DOI：

  10.1246/bcsj.58.1651

文献信息

• Kinetics of the reactions of divalent copper, zinc, cobalt, and nickel with a deformed water soluble centrally monoprotic porphyrin
  作者：Sabrina L. Bailey、Peter Hambright

  DOI：10.1016/s0020-1693(02)01323-3

  日期：2003.2

  The kinetics of incorporation of Cu2+, Zn2+,Co2+, and Ni2+ into the free base H-2-BrP(4)(4+) and centrally monoprotic H-BrP(4)(3+) forms of the deformed and water soluble beta-octabromo-tetrakis(N-methyl-4-pyridyl)porphyrin were studied at 25degreesC, I=0.10 (NaNO3/HNO3). Below pH 7, the reactions were first-order in porphyrin and metal, and the rate constants increased with an increase in pH. The monocation H-3-BrP(4)(5+) did not incorporate metal ions, and H-BrP(4)(3+) reacted several hundred times faster than H-2-BrP(4)(4+). The incorporation rate constants for the pre-deformed H-2-BrP(4)(4+) were similar to10(3) times larger as compared to the more planar tetrakis(N-methyl-4-pyridyl)porphyrin. For both porphyrins, the reactivity order was Cu2+>Zn2+>Co2+> Ni2+. While Cu2+ reacted similar to10(4) times more rapidly than did Ni2+ the ratios of the metalation rate constants of H-BrP(4)(3+) to the water exchange rate constants of the metal ions varied by no more than a factor of 4 across the series. (C) 2002 Elsevier Science B.V. All rights reserved.
• Activation parameters and a mechanism for metal-porphyrin formation reactions
  作者：Jafara Turay、Peter Hambright

  DOI：10.1021/ic50204a059

  日期：1980.2
• Evsei; Kirillov; Kopylovich, Russian Journal of Inorganic Chemistry, 2003, vol. 48, # 10, p. 1601 - 1608
  作者：Evsei、Kirillov、Kopylovich、Baev

  DOI：——

  日期：——
• An X-Ray Diffraction Study on the Structures of Mono(glycinato)zinc(II) and Tris(glycinato)zincate(II) Complexes in Aqueous Solution
  作者：Kazuhiko Ozutsumi、Hitoshi Ohtaki

  DOI：10.1246/bcsj.58.1651

  日期：1985.6

  The structure of zinc(II) complexes with glycinate ion in solution was investigated by the X-ray diffraction method. The measurements were performed at 20 °C for the solutions with the Cgly⁄Czn mole ratios of 1.49 (solution A) and 5.09 (solution B), where Ci denotes the total concentration of species i. From the analysis of the radial distribution curve of solution A, in which comparable amounts of the hexaaqua- and mono(glycinato)zinc(II) complexes existed, it was found that the mono(glycinato)zinc(II) complex combined with four water molecules at the distance of (2.12±0.01) Å. The Zn–OH2 bond length within the complex was longer than that within the hexaaquazinc(II) ion (2.08 Å). The Zn–O and Zn–N distances, where O and N denote oxygen and nitrogen atoms within the glyeinate ion in the [Zn(gly)(OH2)4]+ complex, were both (2.12±0.02) Å. Thus the mono(glycinato)zinc(II) complex had a regular octahedral structure. The nonbonding Zn···C distance was found to be (2.84±0.02) Å. The X-ray diffraction data of solution B, which contained the [Zn(gly)3]− ion as a predominant species, showed that the tris(glycinato)zincate(II) complex had a regular octahedral structure with the both Zn–O and Zn–N bond distances of (2.12±0.01) Å. The nonbonding Zn···C(COO), Zn···C(CH2), and Zn···O(O=C) lengths were (2.87±0.03) Å, (2.93±0.03) Å, and (4.10±0.04) Å, respectively. The solubility of the bis(glycinato)zinc(II) complex was so low that the structural determination of the complex by the present X-ray diffraction method was not possible.

  利用 X 射线衍射法研究了溶液中含有甘氨酸离子的锌（II）络合物的结构。测量是在 20 °C 下对 Cgly⁄Czn 摩尔比为 1.49（溶液 A）和 5.09（溶液 B）的溶液进行的，其中 Ci 表示物种 i 的总浓度。通过分析溶液 A 的径向分布曲线（其中存在数量相当的六价和单(甘氨酸)锌(II)络合物）发现，单(甘氨酸)锌(II)络合物与四个水分子的结合距离为 (2.12±0.01) Å，络合物内的 Zn-OH2 键长度比六价锌(II)离子内的 Zn-OH2 键长度（2.08 Å）长。单（甘氨酸）锌（II）络合物具有规则的八面体结构。溶液 B 主要含有[Zn(gly)3]-离子，其 X 射线衍射数据显示三（甘氨酸）锌酸盐（II）配合物具有规则的八面体结构，Zn-O 和 Zn-N 键的距离均为（2.非键Zn--C(COO)、Zn--C(CH2)和Zn--O(O=C)的长度分别为(2.87±0.03)埃、(2.93±0.03)埃和(4.10±0.04)埃。双（甘氨酸）锌（II）络合物的溶解度很低，因此无法用目前的 X 射线衍射方法确定其结构。
• Ducommun, Yves; Laurenczy, Gábor; Merbach, André E., Inorganic Chemistry, 1988, vol. 27, # 7, p. 1148 - 1152
  作者：Ducommun, Yves、Laurenczy, Gábor、Merbach, André E.

  DOI：——

  日期：——