(dibutylamine)bis(diethyldithiocarbamato)zinc | 108105-03-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (dibutylamine)bis(diethyldithiocarbamato)zinc
• CAS: 108105-03-9
• 化学式: C₁₈H₃₉N₃S₄Zn
• 分子量: 491.182
• InChiKey: ZNDVBBXUHUEBME-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  diethyldithiocarbamate 以 水 、 甲苯 为溶剂， 生成 (dibutylamine)bis(diethyldithiocarbamato)zinc
  参考文献：
  名称：

  Adducts of zinc and copper(II) dialkyldithiocarbamate complexes with dibutyl-and diisobutylamines: Synthesis, structures, EPR and solid-state natural abundance 13C and 15N CP/MAS NMR spectra

  摘要：

  Crystalline adducts of zinc and copper(II) dithiocarbamate complexes with dibutyl-and diisobutylamines of the general formula [M(NHR'(2))(S2CNR2)(2)] (M = Zn, Cu-63, and Cu-65; R = CH3 and C2H5; R-2 = (CH2)(4)O; R' = C4H9 and i-C4H9) were synthesized. Their structures and spectroscopic properties were studied by EPR and solid-state natural abundance C-13 and N-15 CP/MAS NMR spectroscopy. Experimental EPR data and computer-assisted modeling confirmed the individual character of copper(II) adducts. The geometries of the copper coordination polyhedra were found to be intermediate between a tetragonal pyramid and a trigonal bipyramid (TBP). The contributions from TBP to the geometries of the adducts obtained were calculated from the EPR data. According to the X-ray diffraction data, the adduct of zinc diethyldithiocarbamate with diisobutylamine exists in two isomeric forms. The C-13 and N-15 CP/MAS NMR signals were assigned to the atomic positions in two crystallographically independent conformer molecules.

  DOI：

  10.1134/s107032840704001x