diisothiocyanatonickel(II) | 218447-82-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: diisothiocyanatonickel(II)
• 英文别名: Ni(NCS)₂；Nickel(II) isothiocyanate
• CAS: 218447-82-6
• 化学式: C₂N₂NiS₂
• 分子量: 174.857
• InChiKey: GDWVNFWUTFZLND-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.31
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  66.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-吡啶甲醇 、 diisothiocyanatonickel(II) 以 乙腈 为溶剂， 反应 120.0h， 以91%的产率得到Ni(NCS)₂(4-(hydroxymethyl)pyridine)₂
  参考文献：
  名称：

  Synthesis, crystal structures and properties of Ni(NCS)2-4-(hydroxymethyl)pyridine coordination compounds

  摘要：

  Reaction of Ni(NCS)(2) with 4-(hydroxymethyl)pyridine leads to the formation of five new coordination compounds. The crystal structures of compounds 1-H2O, 1, 2 and 3 consist of discrete complexes, in which the Ni cations are coordinated by two terminal N-bonded thiocyanato anions and four neutral co-ligands, within slightly distorted octahedra. In the structure of 4, two Ni cations are linked into dimers by pairs of mu-1,3-bridging anions and are further connected into chains by the 4-(hydroxymethyl)pyridine ligand. Compound 4 shows an antiferromagnetic transition at T-N = 6.7 K. The compounds were additionally characterized by IR spectroscopy, thermoanalytical methods and X-ray powder diffraction. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2015.06.004
• 作为产物：
  描述：

  nickel(II) sulfate hexahydrate 、 Ba(NCS)₂·3H₂O 以 水 为溶剂， 生成 diisothiocyanatonickel(II)
  参考文献：
  名称：

  Synthesis, crystal structures and properties of Ni(NCS)2-4-(hydroxymethyl)pyridine coordination compounds

  摘要：

  Reaction of Ni(NCS)(2) with 4-(hydroxymethyl)pyridine leads to the formation of five new coordination compounds. The crystal structures of compounds 1-H2O, 1, 2 and 3 consist of discrete complexes, in which the Ni cations are coordinated by two terminal N-bonded thiocyanato anions and four neutral co-ligands, within slightly distorted octahedra. In the structure of 4, two Ni cations are linked into dimers by pairs of mu-1,3-bridging anions and are further connected into chains by the 4-(hydroxymethyl)pyridine ligand. Compound 4 shows an antiferromagnetic transition at T-N = 6.7 K. The compounds were additionally characterized by IR spectroscopy, thermoanalytical methods and X-ray powder diffraction. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2015.06.004

文献信息

• Studies on a new class of organobimetallic compounds
  作者：P.P. Singh、M.P. Reddy、Subir Kumar

  DOI：10.1016/0022-2860(82)80041-0

  日期：1982.7

  Abstract Organometallic compounds of general formula (SCN) 2 Ni(NCSHgR) 2 (R = CH 3 , C 2 H 5 , n-C 4 H 9 and iso-C 4 H 9 ) have been synthesized. These organometallic compounds behave as Lewis acids and form complexes with pyridine, nicotinamide and 2,2'-bipyridyl. The Lewis acids and the complexes are characterized by elemental analysis, molecular weight determination, molar conductance, IR spectral

  摘要 已合成通式 (SCN) 2 Ni(NCSHgR) 2 (R = CH 3 、C 2 H 5 、nC 4 H 9 和异-C 4 H 9 ) 的有机金属化合物。这些有机金属化合物表现为路易斯酸，并与吡啶、烟酰胺和 2,2'-联吡啶形成络合物。路易斯酸和配合物的特征在于元素分析、分子量测定、摩尔电导、红外光谱（4000-50 cm -1 ）、电子光谱和磁化率测量。这些研究表明路易斯酸本质上是单体，在Ni 2+ 和Hg 2+ 之间桥接硫氰酸盐。镍通过轴向桥接获得八面体构型，而汞保持其线性。吡啶和烟酰胺在路易斯酸的镍处连接并形成式L 2 (SCN) 2 Ni(NCSHgR) 2 的加合物。联吡啶使硫氰酸酯桥断裂并形成阳离子-阴离子复合物 [Ni(bipy) 3 ] [(NCS) 2 HgR] 2 。软度值也以一种新颖的方式用于提出复合物的结构和建议路易斯酸的相对行为。