[ZrCl4(N,N'-1,10-phenanthroline-5,6-dione)] | 259673-44-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: [ZrCl4(N,N'-1,10-phenanthroline-5,6-dione)]
• 英文别名: 1,10-phenanthroline-5,6-dione;tetrachlorozirconium
• CAS: 259673-44-4
• 化学式: C₁₂H₆Cl₄N₂O₂Zr
• 分子量: 443.228
• InChiKey: XLJFIDATSDOEKS-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  CrCl₂·THF 、 [ZrCl4(N,N'-1,10-phenanthroline-5,6-dione)] 以 四氯乙烯 为溶剂， 以81%的产率得到[ZrCl4(N,N'-1,10-phenanthroline-5,6-dione-O,O')CrCl2(THF)2]
  参考文献：
  名称：

  1,10-Phenanthroline-5,6-dione complexes of middle transition elements: Mono- and dinuclear derivatives

  摘要：

  The synthesis and the characterization of several mono- and dinuclear middle transition metal derivatives of 1,10-phenanthroline5,6-dione, 1, are presented. The reaction of 1 with CrCl(2)(THF)(2) gives CrCl(2)(O, O'-C(12)H(6)N(2)O(2))(THF)(2), 2, while the halides of iron(II), cobalt(II) and nickel(II) afford adducts of general formula MX(2)(N, N'-C(12)H(6)N(2)O(2)), M = Fe, 4, Co, 5, X = Cl; M = Ni, 6, X = Br. DFT calculations on CrCl(2)(L)(THF)(2) with L = O, O'-C(12)H(6)N(2)O(2) or O, O'-C(14)H(8)O(2) allowed a direct comparison of the coordination properties of 9,10-phenanthrenequinone and 1,10-phenanthroline-5,6-dione to be made. Dinuclear compounds of general formula CrCl(2)(THF)(2)(O, O'-C(12)H(6)N(2)O(2)-N, N') MX(n)L(m), M = Zr, 7, X = Cl, n = 4, m = 0; M = Cr, 8, X = Cl, n = 2, L = THF, m = 2; M = Fe, 9, Co, 10, X = Cl, n = 2, m = 0; M= Ni, 11, X = Br, n = 2, m = 0, are prepared from 2 and the corresponding metal halide, while VCp(2)(O, O'-C(12)H(6)N(2)O(2)-N, N') FeCl(2), 12, is synthesized by reacting 4 with VCp2. The electronic properties of the different complexes are investigated by magnetic moment measurements and EPR spectroscopy. (C) 2007 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.12.011
• 作为产物：
  描述：

  1,10-邻二氮杂菲-5,6-二酮 、 氯化锆(IV) 以 二氯甲烷 为溶剂， 以69%的产率得到[ZrCl4(N,N'-1,10-phenanthroline-5,6-dione)]
  参考文献：
  名称：

  Co-ordination properties of 1,10-phenanthroline-5,6-dione towards group 4 and 5 metals in low and high oxidation states †

  摘要：

  1,10-菲咯啉-5,6-二酮的分子结构已通过X射线衍射分析确定。该化合物与第 4 族金属的四氯化物反应，得到通式 [MCl4(C12H6N2O2)]（M = Ti、Zr 或 Hf）和 [(MCl4)2(C12H6N2O2)]（M = Ti 或 Hf）的加合物， N,N-2-和N,N-2,O,O-2-分别配位。化合物 [HfCl4(C12H6N2O2)] 与 TiCl4 反应，得到双金属化合物 [Cl4Hf(C12H6N2O2)TiCl4]。二酮与钛(II)、锆(II)、[MCp2(CO)2]和钒(II)、VCp2的双环戊二烯基衍生物反应，得到O,O-配位的衍生物MCp2 部分。通过 [TiCp2(C12H6N2O2)] 与 [TiCp2(CO)2] 反应，得到双金属衍生物 [(TiCp2)2(C12H6N2O2)]，其中含有两个 TiCp2 片段：O,O−2- 和 N， N-配位至 1,10-菲咯啉-5,6-二酮。 [MCp2(C12H6N2O2)] (M=Ti、Zr 或 V) 衍生物与 M-Cl4 (M-=Ti 或 Hf) 反应生成 [Cp2M(C12H6N2O2)M-Cl4] 双金属。

  DOI：

  10.1039/a906016b