[Cd(3-dithiocarbamato coumarin)2] | 1610954-34-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: [Cd(3-dithiocarbamato coumarin)2]
• 英文别名: [Cd(3-dithiocarbamato coumarin)₂]；[Cd(1,1-dithiolato)₂]
• CAS: 1610954-34-1
• 化学式: C₂₀H₁₂CdN₂O₄S₄
• 分子量: 585.0
• InChiKey: ZCIISUFSUTWJRQ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  4.07
• 重原子数：
  31.0
• 可旋转键数：
  2.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  84.48
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  cadmium(II) acetate dihydrate 、 3-dithiocarbamato coumarin triethylamine 反应 14.0h， 生成 [Cd(3-dithiocarbamato coumarin)2]
  参考文献：
  名称：

  One pot three component synthesis of mononuclear [M(1,1-dithiolato)2] {Mn(II), Co(II), Zn(II) and Cd(II)} complexes, spectral characterization, fluorescence, optical and thermogravimetric study

  摘要：

  A series of neutral monometallic bis-dithiocarbamate complexes, [M(1,1-dithiolato)(2)] {1,1-dithiolato = 3-dithiocarbamato coumarin; M = Mn(II) 1, Co(II) 2, Zn(II) 3 and Cd(II) 4}, was efficiently synthesized in a single pot reaction using 3-amino coumarin, CS2 and M(OAc)(2). All the complexes were characterized by microanalysis, ESI MS, FT-IR, H-1 and C-13 NMR, UV-Vis absorption, fluorescence, magnetic susceptibility and thermogravimetric studies. Evidently the 3-dithiocarbamato coumarin ligand behaves as monobasic bidentate in all the complexes. The electronic absorption and magnetic moment data support a distorted tetrahedral geometry around Mn(II) and a rare low spin square planar geometry around Co(II), as well as square planar Zn(II) and Cd(II) centres. The fluorescence spectra of all complexes exhibit concomitant bathochromic shifts of the intra-molecular (CT -> M) charge-transfer emissions. Interestingly, the thermal decomposition of complexes 2-4 gave a metal sulfide as the final product and this indicates that these complexes may provide a single source material for the preparation of metal sulfide nanoparticles. The calculated band gap energies (Eg) fall in the range 2.039-2.565 eV, suggesting the feature of a direct band gap semiconducting nature for complexes 1-4. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2014.03.032

文献信息

• Corrigendum to “One pot three component synthesis of mononuclear [M(1,1-dithiolato)2] {Mn(II), Co(II), Zn(II) and Cd(II)} complexes, spectral characterization, fluorescence, optical and thermogravimetric study” [Polyhedron 76 (2014) 1–9]
  作者：Sanjay K. Verma、Vinay K. Singh

  DOI：10.1016/j.poly.2014.08.062

  日期：2015.1