platinum(II){1,10-phenanthroline(NCS)2} | 141171-02-0

• 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: platinum(II){1,10-phenanthroline(NCS)2}
• CAS: 141171-02-0
• 化学式: C₁₄H₈N₄PtS₂
• 分子量: 491.456
• InChiKey: LZOMRTFGKXABGE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.07
• 重原子数：
  21.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  35.96
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  platinum(II){1,10-phenanthroline(SCN)2} 以 二甲基亚砜 为溶剂， 生成 platinum(II){1,10-phenanthroline(NCS)2}
  参考文献：
  名称：

  Ligand isomerism and stacking in square planar platinum(II) complexes

  摘要：

  The structure and bonding in two forms of the bisthiocyanate complex of Pt(II), Pt[(bpy)(X)2] (where bpy is 2,2'-bipyridyl and X is the pseudohalide), have been studied by solution and solid-state NMR, FTIR, and EXAFS spectroscopies. The yellow complex, which is soluble in a variety of organic solvents, contains two cis S-bonded SCN ligands and is the kinetically favored form. On heating, either in solution or as a solid, this complex transforms to a red insoluble complex, in which the SCN ligands have "flipped" to become N-bonded and which appears to be the thermodynamically stable form at room temperature. Conversion of the solid does not involve loss of a solvent molecule. EXAFS experiments involving the Pt-L3 edge show the presence of two Pt-Pt distances in the red solid, one of which is indicative of the formation of stacked square planar Pt moieties, in which the 18-electron rule is satisfied.

  DOI：

  10.1021/ic00036a006