nickel(II) bis(O,O-di-benzyl phosphorodithioate) | 128391-34-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: nickel(II) bis(O,O-di-benzyl phosphorodithioate)
• 英文别名: Ni[O,O'-dibenzyl dithiophosphate]2；bis(phenylmethoxy)-sulfanylidene-sulfido-λ5-phosphane;nickel(2+)
• CAS: 128391-34-4
• 化学式: C₂₈H₂₈NiO₄P₂S₄
• 分子量: 677.429
• InChiKey: RUKYBUVXDMLXIV-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  9.68
• 重原子数：
  39
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  103
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  nickel(II) chloride hexahydrate 、 ammonium O,O'-dibenzyl dithiophosphate 以 水 为溶剂， 以86%的产率得到nickel(II) bis(O,O-di-benzyl phosphorodithioate)
  参考文献：
  名称：

  Synthesis, spectroscopic characterization and structural studies of nickel complexes of O,O′-diaryl(dibenzyl) dithiophosphates: Crystal structures of Ni[S2P(OC6H4CH3-o)2]2, Ni[S2P(OC6H4CH3-m)2]2 and Ni[S2P(OCH2Ph)2]2

  摘要：

  Purple-coloured, tetra-coordinated Ni(II) complexes, Ni[S2P(OR)(2)](2) (R = o-, m-, p-OC6H4Me, Ph and CH2Ph) have been obtained by reaction of NiCl2 with salts of corresponding O,O'-diaryl(dibenzyl) dithiophosphates and have been characterized by elemental analysis, UV, IR, H-1, and P-31 NMR spectroscopy. Trends in the data are discussed. The crystal structures of Ni[S2P(OC6H4Me-o)(2)](2), Ni[S2P(OC6H4Me-m)(2)](2) and Ni[S2P(OCH2Ph)(2)](2) are also described. Ni[S2P(OC6H4Me-o)(2)](2) crystallizes as monoclinic in the space group P2(1)/n with cell parameters a = 9.069(2), b = 13.503(2), c = 23.735(4) angstrom, alpha = 90.00 degrees, beta = 90.11(1)degrees, gamma = 90.00 degrees, V = 2906.6(8) angstrom(-3) Z = 4, R = 0.0351, R-w = 0.0787, Ni[S2P(OC6H4CH3-m)(2)](2) as triclinic in the space group P (1) over bar with cell parameters a = 9,4675(4), b = 12.8568(5), c = 13.1174(6) angstrom, alpha = 88.810(4)degrees, beta = 83.416(5)degrees, gamma = 73.711(4)degrees, V = 1522.4(1) angstrom(-3), Z = 2, R = 0.0354, R-w = 0.0830, and Ni[S2P(OCH2Ph)(2)](2) as triclinic in the space group P (1) over bar with cell parameters a = 10.887(2), b = 14.081(3), c = 16.238(3) angstrom, alpha = 72.70(3)degrees, beta = 76.57(3)degrees, gamma = 72.76(3)degrees, V = 2241.4(8) angstrom(-3), Z = 2, R = 0.0365, R-w = 0.0785. Each of these has a distorted square-planar geometry around nickel with MS4 coordination environment. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2005.10.022

文献信息

• McEwen, W. E.; Tien, J. H.; Kalbacher, B. J., Phosphorus and Sulfur and the Related Elements, 1984, vol. 19, p. 17 - 26
  作者：McEwen, W. E.、Tien, J. H.、Kalbacher, B. J.

  DOI：——

  日期：——