cadmium 2-aminoethanethiolate chloride | 913532-68-0

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: cadmium 2-aminoethanethiolate chloride
• 英文别名: cadmium bis(2-aminoethanethiolate)
• CAS: 913532-68-0
• 化学式: C₂H₆NS*Cd*Cl
• 分子量: 224.005
• InChiKey: ZOKNUODVNFNTOI-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -3.51
• 重原子数：
  6.0
• 可旋转键数：
  1.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  26.02
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  半胱胺盐酸盐 、 cadmium(II) chloride 在 NaOH 作用下， 以 甲醇 、 水 为溶剂， 以83.5%的产率得到cadmium 2-aminoethanethiolate chloride
  参考文献：
  名称：

  Structural Diversity within Analogous Compounds:  Syntheses and Studies of M(SCH₂CH₂NH₂)Cl (M = Zn, Cd, Hg)

  摘要：

  The novel complexes [Zn(L)Cl] (1), [Cd(L)Cl] (2), [Hg(L)Cl] (3), {[Hg(L)Cl], NaOH, 2H(2)O} (3 center dot NaOH center dot 2H(2)O), and {[Hg-3(HL)(2)Cl-6]center dot 2H(2)O}(4) (L = -SCH2CH2NH2) were prepared and investigated by means of IR spectroscopy and single-crystal X-ray diffraction. The crystal structures of 1, 2, and 3, NaOH, 2H(2)O show chelating N, S-coordination of the cysteaminate ligand, bridging S, and terminally coordinating Cl. Apart from these common features, the coordination geometries and modes of intermolecular association are different. 1 forms a cyclic tetramer with a Zn4S4 ring, and 3, NaOH, 2H(2)O contains one-dimensional [Hg(L)Cl](n) chains with S-bridged Hg atoms. Zn and Hg atoms in 1 and 3, NaOH, 2H(2)O are tetracoordinate with a distorted tetrahedral M(CINS2) geometry (M = Zn, Hg). Each Cd atom of 2 binds to three S atoms and vice versa, such that layers of distorted Cd3S3 hexagons are formed. 2 is the first example for a compound exhibiting a group 12-group 16 layer structure, which can be described as an analogue of a graphite layer. Additionally, each Cd atom binds to a chlorine atom and a nitrogen atom from a cysteaminate ligand resulting in pentacoordination with a distorted trigonal bipyramidal Cd(CINS3) geometry. 4 contains two differently coordinate Hg atoms. One displays a distorted trans-octahedral Hg(Cl4S2) geometry, while the other is coordinated by four Cl atoms and one S atom and additionally forms a long Hg,,, Cl contact.

  DOI：

  10.1021/ic0604765

文献信息

• Cysteamine and Its Homoleptic Complexes with Group 12 Metal Ions. Differences in the Coordination Chemistry of Zn^II, Cd^II, and Hg^II with a Small N,S-Donor Ligand
  作者：Holger Fleischer、Yvonne Dienes、Bernd Mathiasch、Volker Schmitt、Dieter Schollmeyer

  DOI：10.1021/ic050814m

  日期：2005.10.1

  in the coordination chemistry of Zn(II), Cd(II), and Hg(II). While chelating N,S-coordination modes are found for all metal ions, Zn(II) forms a mononuclear complex with a distorted tetrahedral Zn(N(2)S(2)) coordination mode, whereas Hg(II) displays a dimer with Hg(N(2)S(2)) coordinated monomers being connected by two long Hg...S contacts. Solid-state (199)Hg NMR spectra of HgL(2) and [Hg(HL)(2)]Cl(2)

  2-铵乙硫醇盐，（-）SCH（2）CH（2）NH（3）（+），第一种结构特征为两性离子硫铵，是固态和水溶液中半胱胺（HL）的稳定形式。ZnCl（2），Cd（Oac）（2）和HgCl（2）与半胱胺和NaOH的比例分别为1：2：2的反应导致均均络合物ML（2）。它们的单晶X射线结构表明Zn（II），Cd（II）和Hg（II）的配位化学基本不同。虽然发现所有金属离子都具有螯合的N，S配位模式，但Zn（II）形成具有扭曲的四面体Zn（N（2）S（2））配位模式的单核络合物，而Hg（II）则显示具有Hg（N（2）S（2））配位单体通过两个长Hg ... S触点连接。HgL（2）和[Hg（HL）（2）] Cl（2）的固态（199）Hg NMR光谱揭示了随配位数增加信号的低场移位。固态CdL（2）中的强且几乎对称的Cd-S-Cd桥导致链结构Cd（II）显示扭曲的方形金字塔Cd（N（2）S（3））配位模式。分离的ML（2）的从头开始[MP2