Ni[O,O'-o-ditolyl dithiophosphate]2 | 53231-34-8

• 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: Ni[O,O'-o-ditolyl dithiophosphate]2
• 英文别名: bis(O,O'-di(o-tolyl)dithiophosphato)nickel(II)；Ni[S2P(OC6H4Me-o)2]2
• CAS: 53231-34-8
• 化学式: C₂₈H₂₈NiO₄P₂S₄
• 分子量: 677.429
• InChiKey: XVBSTCSNBLJBRT-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  10.36
• 重原子数：
  39.0
• 可旋转键数：
  8.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  36.92
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  新铜试剂 、 Ni[O,O'-o-ditolyl dithiophosphate]2 以 苯 为溶剂， 以69.7%的产率得到bis(O,O'-di(o-tolyl)dithiophosphato)(2,9-dimethyl-o-phenanthroline)nickel(II)
  参考文献：
  名称：

  双（O，O'-二甲苯基二硫代磷酸根）镍（II）的氮基加合物的合成，表征和光谱研究。Ni [S2P（OC6H4Me-p）2] 2·C10H8N2和Ni [S2P（OC6H4Me-o）2] 2·C14H12N2·C6H6的晶体结构

  摘要：

  Ni [S 2 P（OR）2] 2（R = o-，m-和p -C 6 H 4 Me）与氮供体配体的抽象反应，即。吡啶（C 5 H 5 N或py），2,2'-联吡啶（C 10 H 8 N 2或bipy）和2,9-二甲基-1,10-菲咯啉（C 14 H 12 N 2或dmphen）在苯中进行反应，得到绿色顺磁性固体。这些加合物的特征在于紫外可见光谱和红外光谱，磁测量以及两种情况下的X射线晶体学，以表明供体原子数和空间因素如何影响Ni-S键。2,2'-联吡啶双{O，O'-二（对甲苯基）二硫代磷酸}镍（II），Ni [S 2 P（OC 6 H 4 Me- p）2] 2·C 10 H的分子结构8 N 2和2,9-二甲基-1,10-菲咯啉双{O，O'-二（邻甲苯基）二硫代磷酸}镍（II），Ni [S 2 P（OC 6 H 4 Me-o）2]描述了2·C 14 H 12 N 2·C 6 H 6。

  DOI：

  10.1016/j.poly.2007.01.003

文献信息

• 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
  作者：Ann L. Bingham、John E. Drake、Mark E. Light、Manisha Nirwan、Raju Ratnani

  DOI：10.1016/j.poly.2005.10.022

  日期：2006.3

  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.
• Synthesis, characterization and spectral studies of nitrogen base adducts of bis(O,O′-ditolyldithiophosphato)nickel(II). Crystal structures of Ni[S2P(OC6H4Me-p)2]2·C10H8N2 and Ni[S2P(OC6H4Me-o)2]2·C14H12N2·C6H6
  作者：Ann L. Bingham、John E. Drake、Michael B. Hursthouse、Mark E. Light、Manisha Nirwan、Raju Ratnani

  DOI：10.1016/j.poly.2007.01.003

  日期：2007.7

  The molecular structures of 2,2′-bipyridylbis O , O ′-di( p -tolyl)dithiophosphate}nickel(II), Ni[S 2 P(OC 6 H 4 Me- p ) 2 ] 2 · C 10 H 8 N 2 and 2,9-dimethyl-1,10-phenanthrolinebis O , O ′-di( o -tolyl)dithiophosphate}nickel(II), Ni[S 2 P(OC 6 H 4 Me- o ) 2 ] 2 · C 14 H 12 N 2 · C 6 H 6 are described. The geometry around nickel in the bipyridyl adduct is distorted octahedral with NiS 4 N 2 coordination

  Ni [S 2 P（OR）2] 2（R = o-，m-和p -C 6 H 4 Me）与氮供体配体的抽象反应，即。吡啶（C 5 H 5 N或py），2,2'-联吡啶（C 10 H 8 N 2或bipy）和2,9-二甲基-1,10-菲咯啉（C 14 H 12 N 2或dmphen）在苯中进行反应，得到绿色顺磁性固体。这些加合物的特征在于紫外可见光谱和红外光谱，磁测量以及两种情况下的X射线晶体学，以表明供体原子数和空间因素如何影响Ni-S键。2,2'-联吡啶双O，O'-二（对甲苯基）二硫代磷酸}镍（II），Ni [S 2 P（OC 6 H 4 Me- p）2] 2·C 10 H的分子结构8 N 2和2,9-二甲基-1,10-菲咯啉双O，O'-二（邻甲苯基）二硫代磷酸}镍（II），Ni [S 2 P（OC 6 H 4 Me-o）2]描述了2·C 14 H 12 N 2·C 6 H 6。