diiodobis(thiourea-S)cadmium | 71383-81-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: diiodobis(thiourea-S)cadmium
• 英文别名: cadmium(2+);thiourea;diiodide
• CAS: 71383-81-8
• 化学式: C₂H₈CdI₂N₄S₂
• 分子量: 518.463
• InChiKey: XAYXZSOIAGMDDJ-UHFFFAOYSA-L

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：

  diiodobis(thiourea-S)cadmium 以 neat (no solvent) 为溶剂， 生成 氰胺 、 硫化氢 、 氨 、 氢碘酸 、 cadmium(II) sulphide
  参考文献：
  名称：

  摘要：

  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.

  DOI：

  10.1023/a:1012306512566
• 作为产物：
  描述：

  硫脲 、 cadmium(II) iodide 以 水 为溶剂， 生成 diiodobis(thiourea-S)cadmium
  参考文献：
  名称：

  Bis(thiourea)cadmium Halides

  摘要：

  The crystals of dichlorobis(thiourea-S)cadmium, [CdCl2{SC(NH2)(2)}(2)], (I), and dibromobis(thiourea-S)cadmium, [CdBr2{SC(NH2)(2)}(2)], (II), are orthorhombic (Pmn2(1) and Pnam, respectively), while those of diiodobis(thiourea-S)cadmium, [CdI2{SC(NH2)(2)}(2)], (III), are monoclinic (P2(1)/c). In all these compounds, two S atoms from two thiourea molecules and two X (X = halogen) atoms coordinate to Cd in tetrahedral arrangements. Crystal packing is mainly determined by N-H ... X hydrogen bonds, but is different in all three cases. The average Cd-X distance increases from 2.541 (1) Angstrom in (I) to 2.655(3)Angstrom in (II) and 2.782(1) Angstrom in (III), whereas the average Cd-S distances in the three compounds are quite similar, their values being 2.517(1), 2.522(2) and 2.526 (2) Angstrom, for (I), (II) and (III), respectively.

  DOI：

  10.1107/s0108270198004314

文献信息

• A systematic FT-Raman spectroscopic study of twelve bis-thiourea complexes, A(tu)2B2 (A=Zn, Cd, Hg; B=Cl, Br, I, SCN)
  作者：J.M. Alı́a、H.G.M. Edwards、M.D. Stoev

  DOI：10.1016/s1386-1425(99)00028-1

  日期：1999.10

  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.
• UGAJ, YA. A.;SEMENOV, V. N.;AVERBAX, E. M.;SHAMSHEEVA, I. L., ZH. PRIKL. XIMII, 61,(1988) N 11, S. 2409-2414
  作者：UGAJ, YA. A.、SEMENOV, V. N.、AVERBAX, E. M.、SHAMSHEEVA, I. L.

  DOI：——

  日期：——