二氯二(硫脲-S)锌 | 14239-75-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫脲类
• 中文名称: 二氯二(硫脲-S)锌
• 英文名称: Zn(thiourea)₂Cl₂
• 英文别名: bisthiourea zinc chloride；bis(thiourea)zinc(II) chloride；[Zn(thio)2Cl2]；Dichlorozinc;thiourea
• CAS: 14239-75-9
• 化学式: C₂H₈Cl₂N₄S₂Zn
• 分子量: 288.54
• InChiKey: IYGCWJSYWVMBAQ-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：

  二氯二(硫脲-S)锌 生成 zinc sulfide
  参考文献：
  名称：

  Ugai, Ya. A.; Semenov, V. N., Journal of general chemistry of the USSR, 1989, vol. 59, p. 1952 - 1959

  摘要：

  DOI：
• 作为产物：
  描述：

  硫脲 、 zinc(II) chloride 以 乙醇 为溶剂， 反应 12.0h， 以42.4%的产率得到二氯二(硫脲-S)锌
  参考文献：
  名称：

  四面体CoII配合物中卤离子在磁各向异性性质中的作用

  摘要：

  合成了一系列具有一般分子式[CoL 2 X 2 ] [L =硫脲和X = Cl（1），Br（2）和I（3）]的单核四面体Co II配合物，并通过单分子表征了它们的结构。晶体X射线衍射。直流（DC）磁化率[ χ中号Ť（Ť）和中号（ħ）]和其磁化的缓慢放松了对所有三个复合物进行测定。实验直流磁数据被拟合两者良好地再现χ中号Ť（Ť）和中号（H）同时与参数D = + 10.8 cm -1，g 1 = 2.2，g 2 = 2.2和g 3 = 2.4对应1；d = -18.7厘米-1，克异= 2.21 2 ; 并且D = -19.3 cm -1，对于3，g iso = 2.3 。在更换氯化物1中由溴化物或碘化物（2和3分别伴随着磁各向异性D的符号和大小的变化。电场感应的10％稀释的样品观察到失相易感性信号1 - 3意味着分子起源的磁化缓慢放松。为了更好地理解配合的磁化弛豫动力学1 - 3，详细从头进行CASSCF

  DOI：

  10.1002/chem.201606031

文献信息

• Growth and characterization of Fe3+-doped bis(thiourea)zinc(II) chloride crystals
  作者：K. Nithya、B. Karthikeyan、G. Ramasamy、K. Muthu、S.P. Meenakshisundaram

  DOI：10.1016/j.saa.2011.05.029

  日期：2011.9

  during crystal growth by slow evaporation solution method in bis(thiourea)zinc(II) chloride (BTZC) leads to form a new compound C2H8Cl2N4S2Zn0.93Fe0.07 (BTZCF) which crystallizes in orthorhombic structure with centrosymmetric space group Pnma though the parent compound BTZC crystallizes in noncentrosymmetric structure with space group Pn2(1)a. The interesting feature observed in this new crystal is that

  在双（硫脲）锌（II）氯化锌（BTZC）中通过缓慢蒸发溶液法在晶体生长过程中在水性介质中以约10 mol％的浓度掺杂Fe3 +导致形成新的化合物C2H8Cl2N4S2Zn0.93Fe0.07（BTZCF），其在正交晶中结晶尽管母体化合物BTZC在具有空间群Pn2（1）a的非中心对称结构中结晶，但具有中心对称空间群Pnma的结构。在这种新晶体中观察到的有趣特征是，尽管它以中心对称结构结晶，但由于可能的表面效应或内部应力，它显示出正的SHG结果（弱信号）。计算出的一阶超极化率为1.457×10（-30）esu，约为尿素的5.5倍。Fe3 +掺杂在很大程度上提高了透射率。DSC对热分析结果的比较表明，掺杂剂已掺入晶体基质中。高分辨率XRD研究表明，当掺杂水平达到约10 mol％时，晶体质量得到了显着改善。
• 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.
• Thiourea complexes in synthesis of Cd1 − x Zn x S solid solutions
  作者：A. V. Naumov、T. V. Samofalova、V. N. Semenov、I. V. Nechaev

  DOI：10.1134/s0036023611040218

  日期：2011.4

  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.
• Crystal growth and vibrational spectroscopic studies of the semiorganic non-linear optical crystal—bisthiourea zinc chloride
  作者：V. Krishnakumar、R. Nagalakshmi

  DOI：10.1016/j.saa.2004.04.014

  日期：2005.1
• Nucleation studies of ZTC doped with l-arginine in supersaturated aqueous solutions
  作者：T. Balu、T.R. Rajasekaran、P. Murugakoothan

  DOI：10.1016/j.physb.2009.02.034

  日期：2009.6

  The metastable zonewidth studies are carried out for various temperatures for supersaturated aqueous solutions of zinc thiourea chloride added with 1 mole % of L-arginine. The metastable zonewidth is increased with the addition Of L-arginine. The induction period is experimentally determined and various critical nucleation parameters such as radius of critical nucleus, number of molecules in the critical nucleus, critical free energy of nucleus and interfacial tension are also calculated based on the classical theory for homogeneous crystal nucleation. The induction period is increased with the increase Of L-arginine addition. The critical nucleation parameters vary with increase in doping concentration. It is also observed that the nucleation rate increases with the increase of supersaturation. The second harmonic generation (SHG) efficiency measurements are carried out with different doping concentration Of L-arginine reveal that nonlinear optical (NLO) property is enhanced by L-arginine dopant. (C) 2009 Published by Elsevier B.V.