bis(1,2,3,4-tetrahydroquinolinedithiocarbamato)zinc(II) | 150087-52-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: bis(1,2,3,4-tetrahydroquinolinedithiocarbamato)zinc(II)
• 英文别名: Zn(thqdtc)₂；zinc;3,4-dihydro-2H-quinoline-1-carbodithioate
• CAS: 150087-52-8
• 化学式: C₂₀H₂₀N₂S₄Zn
• 分子量: 482.046
• InChiKey: NZVNQIOHEDQDDW-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  4.54
• 重原子数：
  27
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  72.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  四甲基乙二胺 、 bis(1,2,3,4-tetrahydroquinolinedithiocarbamato)zinc(II) 以 甲苯 为溶剂， 以63%的产率得到Zn(thqdtc)₂(TMEDA)
  参考文献：
  名称：

  Synthesis and spectral studies on N,N,N′,N′-tetramethylethylenediamine adducts of M(II) heterocyclic dithiocarbamates (M=zinc, cadmium): single crystal X-ray structure analysis of bis(1,2,3,4-tetrahydroquinolinecarbodithioato-S,S′)(N,N,N′,N′-tetramethylethylenediamine) cadmium(II)

  摘要：

  Zn(thqdtc)(2)(TMEDA) (1), Cd(thqdtc)(2)(TMEDA) (2), Zn(2-mpipdtc)(2)(TMEDA) (3), and Cd(2-mpipdtc)(2)(TMEDA) (4) (where thqdtc=1,2,3,4-tetrahydroquinolinedithiocarbamate, 2-mpipdtc=2-methylpiperidinedithiocarbamate, and TMEDA=N,N,N',N'-tetramethylethylenediamine) have been synthesized and characterized by infrared (IR) and nuclear magnetic resonance (H-1 and C-13) spectra. A single crystal X-ray structural analysis was carried out for complex 2. IR spectra of the complexes show the contribution of the thioureide form to the structures. The (NCS2)-C-13 chemical shifts of Zn(dtc)(2)(TMEDA) are additionally deshielded compared with Zn(dtc)(2) (dtc=thqdtc, 2-mpipdtc) owing to the increase in coordination number. Single crystal X-ray structure analysis of 2 showed that cadmium is in a distorted octahedral environment with a CdS4N2 chromophore. The acceptance of an additional neutral ligand by the tetrahedral dithiocarbamato complex of cadmium to form an octahedral adduct causes an increase in the Cd-S bond lengths.

  DOI：

  10.1515/mgmc-2012-0906
• 作为产物：
  描述：

  zinc diacetate 、 sodium tetrahydroisoquinoline dithiocarbamate 以 水 为溶剂， 反应 1.0h， 以74%的产率得到bis(1,2,3,4-tetrahydroquinolinedithiocarbamato)zinc(II)
  参考文献：
  名称：

  The syntheses and structures of Zn(II) heterocyclic piperidine and tetrahydroquinoline dithiocarbamates and their use as single source precursors for ZnS nanoparticles

  摘要：

  We report the synthesis and single X-ray structures of bis(dipiperidinyldithio-carbamato)zinc(II) and bis(ditetrahydroquinolinyldithiocarbamato)zinc(II) complexes. The complexes were thermolysed in hexadecylamine (HDA) and tri-n-octylphosphine oxide (TOFU) at different reaction temperatures to produce HDA and TOPO capped ZnS nanoparticles. The microstructure and morphology of the as-prepared ZnS nanoparticles were characterized using X-ray diffraction (XRD), transmission electron microscopy (TEM) and high transmission electron microscopy (HRTEM). Predominantly close to spherical shaped particles were observed in the TEM images of all samples. The optical properties of the particles studied by UV-Vis and photoluminescence (PL) spectroscopy showed evidence of quantum confinement. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2013.08.061

文献信息

• Effect of phenyl and benzyl group in heterocyclic dithiocarbamates on the ZnS4N chromophore: Synthesis, spectral, valence-bond parameters and single crystal X-ray structural studies on (pyridine)bis(1,2,3,4-tetrahydroquinolinedithiocarbamato)zinc(II) and (pyridine)bis(1,2,3,4-tetrahydroisoquinolinedithiocarbamato)zinc(II)
  作者：N. Srinivasan、S. Thirumaran、Samuele Ciattini

  DOI：10.1016/j.molstruc.2008.12.041

  日期：2009.3

  1H NMR spectra is attributed to the drift of electrons from the nitrogen of the NR2 group, forcing a high electron density towards sulfur via the thioureide π-system. In the 13C NMR spectra, the most important thioureide (N13CS2) carbon signals are observed in the region 204–207 ppm. The upfield shift of NCS2 carbon signal for 1 (204.2 ppm) from the chemical shift value of 2 (206.9 ppm) is due to electron

  摘要 已经合成了两种具有 ZnS4N 发色团的二硫代氨基甲酸锌 ([Zn(thqdtc)2(py)] (1) 和 [Zn(thiqdtc)2(py)] (2)（其中 thqdtc = 1,2,3 ,4-四氢喹啉二硫代氨基甲酸酯、thiqtc = 1,2,3,4-四氢异喹啉二硫代氨基甲酸酯和 py = 吡啶)) 分别来自 [Zn(thqdtc)2] (3) 和 [Zn(thiqdtc)2] (4)。它们的结构和性质已通过 IR 和 NMR 光谱表征。两种配合物的结构均由单晶 X 射线晶体学确定。在 1H NMR 光谱中观察到的 H-2 质子对 1 和 3 以及 H-1 和 H-3 质子对 2 和 4 的去屏蔽归因于电子从 NR2 基团的氮漂移，迫使高电子通过硫脲 π 系统对硫的密度。在 13C NMR 谱中，在 204-207 ppm 区域观察到最重要的硫脲 (N13CS2) 碳信号。NCS2