cadmium mercury tetrathiocyanate | 20833-00-5

• 分子结构分类: 有机化合物 - 有机硫化合物
• 英文名称: cadmium mercury tetrathiocyanate
• 英文别名: cadmium merdury thiocyanate；cadmium mercury thiocyanate；thiocyanic acid ; cadmium mercury (II)-thiocyanate；Thiocyansaeure; Cadmium-quecksilber(II)-thiocyanat；cadmium(2+);thiocyanatomercury(1+)
• CAS: 20833-00-5；63652-48-2
• 化学式: C₂CdN₂S₂*C₂HgN₂S₂
• 分子量: 545.335
• InChiKey: XTEFWTUFRBWTKM-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.01
• 重原子数：
  5.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  23.79
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  cadmium mercury tetrathiocyanate 在 air 作用下， 以 neat (no solvent) 为溶剂， 生成
  参考文献：
  名称：

  Combined spectroscopic investigation on the thermal decomposition mechanism of CdHg(SCN)4

  摘要：

  The very useful second order nonlinear optical crystal material: cadmium mercury thiocyanate, CdHg(SCN)(4), was synthesized and purified by using a simple and highly-effective method. The thermal decomposition process of CdHg(SCN)(4) was studied by means of thermogravimetric analysis and differential thermal analysis in air. The factual thermal decomposition behavior encountered throughout the heat treatment was investigated by using an electric muffle furnace. The samples calcined at different temperatures were characterized by X-ray powder diffraction and infrared spectroscopy techniques. The intermediates were cadmium mercury thiocyanates and sulfides, cadmium normal and basic sulfates, and the final product was cadmium oxide. A possible chemical decomposition procedure has been put forward and a theoretical explanation has been provided based on the crystal structure.

  DOI：

  10.1134/s0036023611050263
• 作为产物：
  描述：

  镉 、 以 not given 为溶剂， 生成 cadmium mercury tetrathiocyanate
  参考文献：
  名称：

  Czakis, M., Roczniki Chemii, 1960, vol. 34, p. 729 - 731

  摘要：

  DOI：

文献信息

• Four divalent metal thiocyanate coordination compounds containing a rigid functional pyridine ligand
  作者：Lin Kong、Wei-Jie Li、Xian-Lei Li、Wen-Qian Geng、Fu-Ying Hao、Jie-Ying Wu、Hong-Ping Zhou、Jia-Xiang Yang、Yu-Peng Tian、Bao-Kang Jin

  DOI：10.1016/j.poly.2010.02.018

  日期：2010.4

  new coordination compounds Zn(SCN)2L2 (1), Co(SCN)2L2 (2), [Cd(SCN)2L2·2L]n (3) and [CdHg(SCN)4L2]n (4) have been prepared by self-assembly of a rigid functional pyridine ligand, trans-4-[4′-(N-methyl-N-hydroxyethyl)amimo]styryl pyridine (abbreviated as L) with M(SCN)x (M: Zn, Co, Cd, CdHg; x: 2, 4). The crystal structures indicate that 1 and 2 are mononuclear compounds while 3 and 4 are coordination

  一系列新的配位化合物Zn（SCN）2 L 2（1），Co（SCN）2 L 2（2），[Cd（SCN）2 L 2 ·2L] n（3）和[CdHg（SCN）4 L 2 ] n（4）是通过将刚性的功能吡啶配体，反式-4- [4'-（N-甲基-N-羟乙基）氨基]苯乙烯基吡啶（缩写为L）与M（ SCN）x（M：Zn，Co，Cd，CdHg；x：2、4）。晶体结构表明1和2是单核化合物，而3和4是配位聚合物。O–H⋯N，C–H⋯O，O–H⋯π和C–H⋯π氢键在最终晶体结构中起重要作用。已经测量了固态发光性能。结果表明，通过构架和引入不同的金属离子可以改变所有化合物的光致发光光谱。
• Comparative study of pure and alkaline earth metallic doped cadmium mercury thiocyanate single crystals—Gel technique
  作者：S. Kalainathan、P. Nisha Santha Kumari

  DOI：10.1016/j.saa.2009.02.005

  日期：2009.7

  Growth aspects of Ba and Ca doped cadmium mercury thiocyanate (CMTC) single crystals from silica gel by the process of diffusion are discussed. The incorporation of dopants in the crystal has been confirmed by inductively coupled plasma (ICP) analysis. Single crystal X-ray diffraction studies reveal the structures of the doped crystals to be tetragonal implying that the incorporation of the dopants

  讨论了通过扩散过程从硅胶中生长Ba和Ca掺杂的硫氰酸镉汞（CMTC）单晶的方面。掺杂剂在晶体中的掺入已通过电感耦合等离子体（ICP）分析得到证实。单晶X射线衍射研究表明掺杂晶体的结构是四方的，这意味着掺杂剂的掺入并没有改变母体晶体的结构。通过粉末衍射分析鉴定并标出衍射平面。进行了高分辨率的X射线衍射分析，以研究所生长晶体的晶体完整性。通过傅立叶变换红外和透射光谱分析来表征生长的晶体。对生长晶体的维氏显微硬度研究表明，它们属于软质材料类别。使用粉末库尔兹（Kurtz）方法，与尿素比较，测量了它们的二次谐波产生效率。
• Synthesis, Growth and Spectral Studies of Cadmium Mercury Thiocyanate Dimethyl Sulfoxide: An Efficient Non-linear Optical Single Crystal
  作者：Johanan Christian Prasana、A. Anuradha、J. Madhavan、P. Sagayaraj

  DOI：10.14233/ajchem.2013.13274a

  日期：——

  The salt of tetrathiocyanato cadmium(II) mercury(II)-dimethyl sulfoxide was synthesized by using dimethyl sulfoxide as ligand to react with cadmium mercury tetrathiocyanate (CMTC) in a mixture of dimethylsulfoxide and double distilled water. The grown crystals were confirmed by single crystal XRD and it is found that cadmium(II) mercury(II)-dimethyl sulfoxide belongs to the orthorhombic system with space group P212121. The FTIR studies confirmed the coordination of dimethyl sulfoxide with Cd. The UV-Vis-NIR transmission studies show the presence of a good transmission window which is the prime necessity for the material to have non-linear optical property. The non-linear optical efficiency of cadmium(II) mercury(II)-dimethyl sulfoxide crystal was studied and confirmed by Kurtz and Perry technique and compared with other well-known non-linear optical crystals. It is interesting to observe that the non-linear optical efficiency of cadmium(II) mercury(II)-dimethyl sulfoxide is superior to urea.

  四硫氰酸镉（II）汞（II）-二甲基亚砜的盐是通过在二甲基亚砜和双蒸馏水的混合物中使用二甲基亚砜作为配体与四硫氰酸镉汞（CMTC）反应合成的。通过单晶XRD证实了生长的晶体，发现镉（II）汞（II）-二甲基亚砜属于正交晶系，空间群为P212121。FTIR研究证实了二甲基亚砜与镉的配位。紫外-可见-近红外透射研究表明存在良好的透射窗口，这是材料具有非线性光学特性的首要条件。通过库尔兹和佩里技术研究并证实了镉（II）汞（II）-二甲基亚砜晶体的非线性光学效率，并将其与其他著名的非线性光学晶体进行了比较。有趣的是，镉（II）汞（II）-二甲基亚砜的非线性光学效率优于尿素。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Hg: MVol.B3, 6.16, page 1249 - 1262
  作者：

  DOI：——

  日期：——
• Czakis, M., Studia Societatis Scientiarum Torunensis, Sectio B: (Chemia), 1960, vol. 2, # 5, p. 1 - 80
  作者：Czakis, M.

  DOI：——

  日期：——