(Ph3P)2CuIn(SEt)4 | 1159817-84-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (Ph3P)2CuIn(SEt)4
• 英文别名: Copper, [bis(ethanethiolato)indium]bis[mu-(ethanethiolato)]bis(triphenylphosphine)-；copper(1+);ethanethiolate;triphenylphosphane;tris(ethylsulfanyl)indigane
• CAS: 1159817-84-1
• 化学式: C₄₄H₅₀CuInP₂S₄
• 分子量: 947.459
• InChiKey: CRZAFFSQEACPGF-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  10.67
• 重原子数：
  52
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  76.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  ((Ph3P)2Cu(μ-Cl)2InCl2)2 、 乙硫醇钠 以 benzene 为溶剂， 生成 (Ph3P)2CuIn(SEt)4
  参考文献：
  名称：

  Stepwise Introduction of Thiolates in Copper−Indium Binuclear Complexes

  摘要：

  We report the synthesis and characterization of copper-indium binuclear I-III complexes composing the series (Ph3P)(2)Culn-(SEI)(x)Cl4-x (1-5, 0 <= x <= 4) Members of the series, which are prepared by vanations in the stoichiometry, are compared in terms of their solid-state structures, spectroscopic features, and suitability as precursors for CuInS2 materials The regiochemistry of thiolate substitution, the preference for monomeric versus dimeric (eight-membered ring) structures, and new synthetic strategies informed by this senes are all discussed.

  DOI：

  10.1021/ic9025602

文献信息

• Stepwise Introduction of Thiolates in Copper−Indium Binuclear Complexes
  作者：Kelsey R. Margulieux、Chivin Sun、Lev N. Zakharov、Andrew W. Holland、Joshua J. Pak

  DOI：10.1021/ic9025602

  日期：2010.5.3

  We report the synthesis and characterization of copper-indium binuclear I-III complexes composing the series (Ph3P)(2)Culn-(SEI)(x)Cl4-x (1-5, 0 <= x <= 4) Members of the series, which are prepared by vanations in the stoichiometry, are compared in terms of their solid-state structures, spectroscopic features, and suitability as precursors for CuInS2 materials The regiochemistry of thiolate substitution, the preference for monomeric versus dimeric (eight-membered ring) structures, and new synthetic strategies informed by this senes are all discussed.