((4‐MeC₆H₄O)₂PS₂)₂Ni | 68242-67-1

• 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: ((4‐MeC₆H₄O)₂PS₂)₂Ni
• 英文别名: nickel(II) bis(O,O'-di-p-tolyldithiophosphate)；bis(4-methylphenoxy)-sulfanylidene-sulfido-λ5-phosphane;nickel(2+)
• CAS: 68242-67-1
• 化学式: C₂₈H₂₈NiO₄P₂S₄
• 分子量: 677.429
• InChiKey: ARSCFRVQICGVBO-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  10.36
• 重原子数：
  39
• 可旋转键数：
  8
• 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

• 作为反应物：
  描述：

  新铜试剂 、 ((4‐MeC₆H₄O)₂PS₂)₂Ni 以 苯 为溶剂， 以73.4%的产率得到bis(O,O'-di(p-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
• 作为产物：
  描述：

  nickel(II) bis(O,O-di-p-tolyl phosphorodithioate)*2THF 以 solid 为溶剂， 生成 ((4‐MeC₆H₄O)₂PS₂)₂Ni
  参考文献：
  名称：

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

  摘要：

  DOI：

文献信息

• <i>O‐</i> Alkyldithiophosphate Nickel Complexes with dcpf Ligand as Efficient Electrocatalysts for Hydrogen Evolution
  作者：Dong‐Liang Zhang、Cheng‐Long Deng、Bin Xie、Yu‐Long Li、Chuan Lai、Wen‐Yu Mou、Lin‐Xin He、Xiao‐Xue Bai、Tao Li、Jia‐Xi Cao、Jun Wang

  DOI：10.1002/aoc.5261

  日期：2020.1

  Six new O‐alkyldithiophosphate nickel complexes with dcpf ligand, [(dcpf)Ni(S2PO}OR)] (dcpf = 1,1′‐bis (dicyclohexylphosphino)ferrocene, R = CH3 (1), CH3CH2 (2), Ph (3), 4‐MeC6H4 (4), PhCH2 (5) and PhCH2CH2 (6)), have been synthesized by the treatment of dcpf with ((RO)2PS2)2Ni in satisfactory yields. These complexes were characterized by elemental analysis, spectroscopy (FTIR, UV–vis, 1H, 13C, and

  六个具有dcpf配体[[dcpf）Ni（S 2 P O} OR）]的新O-烷基二硫代磷酸镍配合物（dcpf = 1,1'-双（二环己基膦基）二茂铁，R = CH 3（1），CH 3 CH 2（2），Ph（3），4-MeC 6 H 4（4），PhCH 2（5）和PhCH 2 CH 2（6））是通过用（（RO）2 PS 2）2镍的产率令人满意。这些配合物的特征在于元素分析，光谱（FTIR，UV-vis，1 H，13 C和31 P NMR），热重分析和单晶X射线衍射。在镍原子1，2 ·CH 2氯2，3 ·CH 2氯2，4 ·2CH 2氯2 ·THF，和2（5）·己烷采用稍微扭曲正方形平面配位环境由两个磷原子完成dcpf配体和O-的两个硫原子烷基二硫代磷酸酯配体。此外，用于复合物的电化学特性1 - 6也通过循环伏安法研究。通过加入120mM的三氟乙酸（TFA），周转频率（TOF）为值1 - 6估计为1243
• 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.
• Bis(<i>O</i>,<i>O</i>′-di-<i>p</i>-tolyldithiophosphato-<i>S</i>,<i>S</i>′)(1,10-phenanthroline-<i>N</i>,<i>N</i>′)nickel(II)
  作者：Qingli Hao、Hoong-Kun Fun、Suchada Chantrapromma、Ibrahim Abdul Razak、Fangfang Jian、Xujie Yang、Lude Lu、Xin Wang

  DOI：10.1107/s0108270101005522

  日期：2001.6.15

  The title coordination complex, [Ni(C14H14O2PS2)(2)(C12H8N2)] or [Ni(pMePh-dtp)(2)(phen)] (phen is 1,10-phenanthroline; dtp is diaryldithiophosphate), has a non-crystallographic twofold axis of symmetry through the Ni atom and the phen moiety. Two O,O-di-p-tolyldithiophosphate (dtp) ions act as bidentate ligands. The central metal atom is coordinated by four S atoms from two dtp groups and two N atoms from the phen ligand. The title compound displays distorted octahedral geometry around the central Ni atom.