dichlorobis(thiourea-S)cadmium | 15021-53-1

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: dichlorobis(thiourea-S)cadmium
• 英文别名: cadmium(II)(thiocarbamide)2Cl2；[Cd(thiourea)2Cl2]；[Cd(thio)2Cl2]；cadmium(2+);thiourea;dichloride
• CAS: 15021-53-1
• 化学式: C₂H₈CdCl₂N₄S₂
• 分子量: 335.56
• InChiKey: BFYAAMJZVXWAMD-UHFFFAOYSA-L

物化性质

• 熔点：
  215 °C
• 密度：
  2.26 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  -7.62
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  168
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  dichlorobis(thiourea-S)cadmium 以 neat (no solvent) 为溶剂， 生成 cadmium(II) sulphide
  参考文献：
  名称：

  Thiourea complexes in synthesis of Cd1 − x Zn x S solid solutions

  摘要：

  Solid solutions of the CdS-ZnS system deposited as polycrystalline films by aerosol pyrolysis from aqueous solutions of cadmium and zinc thiourea complexes have been studied. The phase composition and solid-phase solubility are dictated by the nature of initial complexes. From solutions of [M(thio)(2)(CH3COO)(2)] complexes, sphalerite sulfides are precipitated, which form a continuous solid solution s-Cd1-x Zn (x) S, whereas the use of the [M(thio)(2)Cl-2] precursor leads to crystallization of the wurtzite w-Cd1-x Zn (x) S solid solution based on CdS (the homogeneity range 0-20 mol % ZnS) and the s-Cd1-x Zn (x) S solid solution based on zinc sulfide (50-100 mol % ZnS). The structure of the solid phase in the sulfide system is attributed to the specific features of the stereochemistry of complex precursors.

  DOI：

  10.1134/s0036023611040218
• 作为产物：
  描述：

  硫脲 、 cadmium(II) chloride 以 甲醇 为溶剂， 生成 dichlorobis(thiourea-S)cadmium
  参考文献：
  名称：

  A systematic FT-Raman spectroscopic study of twelve bis-thiourea complexes, A(tu)2B2 (A=Zn, Cd, Hg; B=Cl, Br, I, SCN)

  摘要：

  This work undertakes a systematic FT-Raman study of twelve thiourea complexes with stoichiometries A(tu)(2)B-2 (A = Zn, Cd, Hg; B = C1, Br, I, SCN). With the exception of Cd(tu)(2)Cl-2, the Raman spectra are reported here for the first time. The main modifications observed in the vibrational dynamics of the organic ligand are basically due to the coordination with the cation, with the influence of the anion less clear. These modifications show an increase with the softness of the metallic ion. The statistical analysis of the band wavenumber data shows that the ligand/cation interactions are stronger than the corresponding cation-anion bonds. This could explain the thermal behaviour of these complexes, which decompose easily at moderately high temperatures (600-700 K), producing the corresponding sulfides. The coordination of the thiocyanate anion in their complexes is accomplished via the sulfur atom (Hg2+ complex) or via the nitrogen atom (Zn2+ and Cd2+ complexes), although in both cases the association is largely ionic. (C) 1999 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s1386-1425(99)00028-1

文献信息

• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Cd: SVol., 20.1, page 781 - 787
  作者：

  DOI：——

  日期：——
• ——
  作者：V. N. Semenov、A. V. Naumov

  DOI：10.1023/a:1012306512566

  日期：——

  Thermal decomposition of cadmium thiourea coordination compounds was considered. Cadmium sulfide is the final product for all the compounds, whereas the composition of other products of the thermolysis substantially depends on the nature of the acido ligand or the outer-sphere anion. Thermal stability parameters of the coordination compounds under study and effective activation energies of their thermolysis were determined, and a mechanism of the thermolysis was proposed.
• Structure and properties of thiocarbamide complexes of cadmium and zinc according to the results of a quantum-chemical calculation
  作者：A. V. Naumov、I. V. Nechaev、T. V. Samofalova、V. N. Semenov

  DOI：10.1134/s107042721006008x

  日期：2010.6

  Quantum-chemical simulation of the structure and some properties of thiocarbamide complexes of cadmium was performed. The energy effects of dissociation in a vacuum and aqueous solutions were evaluated and the charge distribution, vibration frequencies of cadmium and zinc complexes, and a number of their electronic characteristics were calculated.
• Walter, G.; Adler, M.; Reimer, G., Bericht von Wien. Akaddemie, 1935, vol. 143, # IIb, p. 411 - 433
  作者：Walter, G.、Adler, M.、Reimer, G.

  DOI：——

  日期：——