Bis(diethanolamine)bis(isothiocyanato)nickel(II) | 63622-39-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 异硫氰酸盐
• 英文名称: Bis(diethanolamine)bis(isothiocyanato)nickel(II)
• CAS: 63622-39-9
• 化学式: C₁₀H₂₂N₄NiO₄S₂
• 分子量: 385.131
• InChiKey: UWLLCRXTQJDRGN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.56
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  171
• 氢给体数：
  6
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  二乙醇胺 、 nickel(II) thiocyanate 以 乙醇 为溶剂， 以60%的产率得到Bis(diethanolamine)bis(isothiocyanato)nickel(II)
  参考文献：
  名称：

  固态镍 (II) 的甲胺、二乙醇胺、2,2'-联吡啶和 1,10-菲咯啉配合物的热研究和立体化学研究

  摘要：

  摘要 合成了Ni(II)的甲胺、二乙醇胺、2,2'-联吡啶和1,10-菲咯啉配合物。进行了热研究并研究了热分解过程中发生的立体化学变化。使用元素和热分析、IR 和电子光谱数据、磁矩值和电导率测量来表征配合物。发现它们具有 [NiL4(H2O)2]X2·2H2O、[NiL'2X2]·nH2O、[NiL″2X2]·nH2O 和 [NiL‴2(NCS)2]，其中 X 是 Cl− 或 Br −, L 为甲胺 (MeA)，L' 为 2,2'-联吡啶 (bipy)，L" 为 1,10-菲咯啉 (phen)，L‴ 为二乙醇胺 (DEA)，n 为 0 到 2。使用热分析（TG 和 DTA）、红外光谱和有效磁矩数据研究了配合物及其中间体的构型变化。Ni(II)的所有配合物，除了[NiL‴2(NCS)2]，似乎都具有八面体结构；[NiL‴2(NCS)2]是四面体结构。使用标准方法评估复合物脱水和分解反应的热力学参数、活化能

  DOI：

  10.1016/0040-6031(94)87058-6

文献信息

• Di- and triethanolamine complexes of Co(II), Ni(II), Cu(II) and Zn(II) with thiocyanate: synthesis, spectral and thermal studies. Crystal structure of dimeric Cu(II) complex with deprotonated diethanolamine, [Cu2(μ-dea)2(NCS)2]
  作者：Ahmet Karadag、Veysel T. Yilmaz、Carsten Thoene

  DOI：10.1016/s0277-5387(01)00720-3

  日期：2001.4

  New mixed ligand Co(II), Ni(II), Cu(II) and Zn(II) complexes of di- (dea) and triethanolamine (tea) with thiocyanate were synthesized and characterized by elemental analyses, magnetic moments, UV-Vis and IR spectra. All the metal complexes of tea, and the Ni(II) and Zn(II) complexes of dea are mononuclear, while the Co(II) and Cu(II) complexes of dea are dimeric. The crystal structure of the bis(mu -diethanolaminato) bis(iso thiocyanato)dicopper(II) complex were determined by single crystal X-ray diffraction. The centrosymmetric binuclear complex contains two strongly distorted square-pyramidally coordinated copper ions bound together by two alkoxo bridges. The bridging oxygen is a deprotonated oxygen of the ethanolic group of dea. The dea ligand also coordinates to the Cu(II) ions through its nitrogen, while the other ethanolic group does not involve in coordination. The thiocyanate anion coordinates to the Cu(II) ion with its nitrogen. Thermal reactivity of the complexes was studied using DTA and TG. Degradation of the amine ligands in the complexes occurs in the first stages of decomposition and the thiocyanate anions decompose at higher temperatures to give corresponding metal oxides. (C) 2001 Elsevier Science B.V. All rights reserved.
• <i>trans</i>-Bis(diethanolamine)bis(isothiocyanato)nickel(II)
  作者：Veysel T. Yilmaz、Ahmet Karadag、Carsten Thöne、Regine Herbst-Irmer

  DOI：10.1107/s0108270100007289

  日期：2000.8.15

  In the neutral title complex, trans-bis(2,2'-iminodiethanol-N,O)bis(isothiocyanato)nickel(II), [Ni(NCS)(2)(C4H11NO2)(2)], the isothiocyanate ions and the diethanolamine molecules act as monodentate and bidentate ligands, respectively. The Ni-II ion exhibits a distorted octahedral configuration with crystallographically imposed inversion symmetry and N-NCS- Ni-N-amine and N-NCS -Ni-O-amine bond angles of 88.78 (10) and 89.44 (10)degrees, respectively. The Ni-N bond distances are in the range 2.069 (3)-2.096 (2) Angstrom. The molecules are linked by hydrogen bonds to form a three-dimensional infinite lattice.