Zn(3-([4',5,5'-tris(methylthio)-2,2'-bi-1,3-dithol-4-yl]thio)pentane-2,4-dione(1-))2(pyridine)2 | 870813-98-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: Zn(3-([4',5,5'-tris(methylthio)-2,2'-bi-1,3-dithol-4-yl]thio)pentane-2,4-dione(1-))2(pyridine)2
• CAS: 870813-98-2
• 化学式: C₃₈H₄₀N₂O₄S₁₆Zn
• 分子量: 1167.19
• InChiKey: WXAYSNNLQSQMRC-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：

  Zn(3-([4',5,5'-tris(methylthio)-2,2'-bi-1,3-dithol-4-yl]thio)pentane-2,4-dione(1-))2(pyridine)2 在 NOSbF₆ 作用下， 以 二氯甲烷 为溶剂， 生成 Zn(3-([4',5,5'-tris(methylthio)-2,2'-bi-1,3-dithol-4-yl]thio)pentane-2,4-dione)2(pyridine)2(2+)
  参考文献：
  名称：

  Electroactive Ligands:  The First Metal Complexes of Tetrathiafulvenyl−Acetylacetonate

  摘要：

  The reaction of tris(alkylthio)tetrathiafulvalene thiolates with 3-chloro-2,4-pentanedione affords tetrathiafulvalene (TTF) moieties substituted by the acetylacetone function (TTFSacacH), precursors of novel redox-active ligands: the acetylacetonate ions (TTFSacac). These TTFSacacHs have been characterized by X-ray diffraction analyses, and similar trends have been observed, such as a TTF core almost planar and the acetylacetone substituent located in a plane almost perpendicular to the plane formed by the TTF core. Their chelating ability has been demonstrated by the formation of the corresponding M(TTFSacac)(2)(pyridine)(2) complexes in the presence of M-II(OAc)(2)center dot H2O (M = Ni2+, Zn2+). These complexes with TTFSacac moieties, Ni(TTFSacac)(2)(pyridine)(2), 6b, and Zn(TTFSacac)(2)(pyridine)(2), 7b, have been characterized by X-ray diffraction analyses, showing in all structures the metal(II) center chelated by two TTFacac units in the equatorial plane and the octahedral coordination geometry around the metal completed by two axial pyridine ligands. Cyclic voltammetry and UV-visible-near infrared spectroscopic measurements have evidenced a sizable interaction between the two electroactive ligands and the stabilization of a mixed-valence state in the one-electron oxidized complexes.

  DOI：

  10.1021/ic051017r
• 作为产物：
  描述：

  zinc(II) acetate dihydrate 、 吡啶 、 3-([4',5,5'-tris(methylthio)-2,2'-bi-1,3-ditol-4-yl]thio)pentane-2,4-dione 以 四氢呋喃 、 甲醇 为溶剂， 以61%的产率得到Zn(3-([4',5,5'-tris(methylthio)-2,2'-bi-1,3-dithol-4-yl]thio)pentane-2,4-dione(1-))2(pyridine)2
  参考文献：
  名称：

  Electroactive Ligands:  The First Metal Complexes of Tetrathiafulvenyl−Acetylacetonate

  摘要：

  The reaction of tris(alkylthio)tetrathiafulvalene thiolates with 3-chloro-2,4-pentanedione affords tetrathiafulvalene (TTF) moieties substituted by the acetylacetone function (TTFSacacH), precursors of novel redox-active ligands: the acetylacetonate ions (TTFSacac). These TTFSacacHs have been characterized by X-ray diffraction analyses, and similar trends have been observed, such as a TTF core almost planar and the acetylacetone substituent located in a plane almost perpendicular to the plane formed by the TTF core. Their chelating ability has been demonstrated by the formation of the corresponding M(TTFSacac)(2)(pyridine)(2) complexes in the presence of M-II(OAc)(2)center dot H2O (M = Ni2+, Zn2+). These complexes with TTFSacac moieties, Ni(TTFSacac)(2)(pyridine)(2), 6b, and Zn(TTFSacac)(2)(pyridine)(2), 7b, have been characterized by X-ray diffraction analyses, showing in all structures the metal(II) center chelated by two TTFacac units in the equatorial plane and the octahedral coordination geometry around the metal completed by two axial pyridine ligands. Cyclic voltammetry and UV-visible-near infrared spectroscopic measurements have evidenced a sizable interaction between the two electroactive ligands and the stabilization of a mixed-valence state in the one-electron oxidized complexes.

  DOI：

  10.1021/ic051017r