| 190121-92-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 190121-92-7
• 化学式: C₃₂H₂₈NiP₂S₂
• 分子量: 597.344
• InChiKey: YGIPFEOCYOAXOP-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  8.05
• 重原子数：
  37.0
• 可旋转键数：
  4.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  2.0

文献信息

• A Nickel Phosphine Complex as a Fast and Efficient Hydrogen Production Catalyst
  作者：Lu Gan、Thomas L. Groy、Pilarisetty Tarakeshwar、Shobeir K. S. Mazinani、Jason Shearer、Vladimiro Mujica、Anne K. Jones

  DOI：10.1021/ja509779q

  日期：2015.1.28

  of protons to hydrogen by a novel S2P2 coordinated nickel complex, [Ni(bdt)(dppf)] (bdt = 1,2-benzenedithiolate, dppf = 1,1'-bis(diphenylphosphino)ferrocene). The catalysis is fast and efficient with a turnover frequency of 1240 s(-1) and an overpotential of only 265 mV for half activity at low acid concentrations. Furthermore, catalysis is possible using a weak acid, and the complex is stable for

  在这里，我们报告了通过新型 S2P2 配位镍络合物 [Ni(bdt)(dppf)]（bdt = 1,2-苯二硫醇盐，dppf = 1,1'-双（二苯基膦）二茂铁）将质子电催化还原为氢。该催化反应快速有效，周转频率为 1240 s(-1)，低酸浓度下半活性的过电位仅为 265 mV。此外，可以使用弱酸进行催化，并且该配合物在酸性溶液中至少可稳定 4 小时。在密度泛函理论水平 (DFT) 上进行的系统计算与催化机制一致，其中两种质子化都发生在镍中心。
• Planar Ni(II) 1,2-dithiolenes involving bidentate P-donor ligands
  作者：Peter Herich、Jiří Kameníček、Kamil Kuča、Miroslav Pohanka、Milan Olšovský

  DOI：10.1016/j.poly.2009.07.067

  日期：2009.11

  A series of planar Ni(II) dithiolenes derived of maleonitriledithiol (mnt), benzene-1,2-dithiol (bdt) and toluene-3,4-dithiol (tdt) with bidentate P,P-ligands (dppe = 1,2-bis(diphenylphosphino)ethane, dppp = 1,3-bis(diphenylphosphino)propane, dppb = 1,4-bis(diphenylphosphino)butane, dpppn = 1,5-bis(diphenylphosphino)pentane) of the [Ni(P,P)(dithiol)] type have been synthesized. The compounds have been characterized by elemental analysis, IR and electronic spectroscopies, magnetochemical, conductivity measurements and thermal analysis. Single crystal X-ray analysis of [Ni(dpppn)(mnt)] confirmed a planar geometry of NiP2S2 chromophore. Possible practical applications such as use of these compounds for vulcanization accelerators and their anticholinesterase activity were evaluated. (c) 2009 Elsevier Ltd. All rights reserved.
• Reversible absorption of sulfur dioxide by bis(diphenylphosphino)ethanenickel(II) aryldithiolates
  作者：James Darkwa

  DOI：10.1016/s0020-1693(96)05459-x

  日期：1997.4

  Reaction of dithiols with Ni(dppe)Cl-2 gave monomeric or dimeric dithiolato compounds depending on the nature of the dithiol. Toluene-dithiol (TDT) and 1,2-benzenedithiol (I,2-BDT) gave Ni(dppe)(TDT) (I) and Ni(dppe)(1,2-BDT) (2), respectively, whereas 1,3-benzenedithiol (1,3-BDT) gave [Ni(dppe)Cl](2)(1,3-BDT) (3). Single crystal X-ray diffraction studies of 2 showed a square planar nickel environment. Complexes 1 and 2 reacted rapidly and reversibly with SO2 to form 1 . SO2 and 2 . SO2, respectively. The reversibility of the SO2 reactions was established by a combination of UV-Vis and H-1 NMR spectroscopy.
• Star porphyrazines: peripheral chelation of porphyrazineoctathiolate by diphosphinonickel ions
  作者：Christopher S. Velazquez、Theodore F. Baumann、Marilyn M. Olmstead、Hakon Hope、Anthony G. M. Barrett、Brian M. Hoffman

  DOI：10.1021/ja00075a016

  日期：1993.11

  We have synthesized new pentametallic macrocyclic complexes based on the polynucleating ligand, porphyrazine-2,3,7,8,12,13,17,18-octathiolate, (pzot)8-. This ligand can be thought of as a porphyrazine (tetraazaporphyrin) bearing four dithiolene moieties peripherally at the beta-pyrrole positions, and we show that a transition-metal ion can be chelated to each of the four peripheral dithiolene moieties. The complexes [(P-P)Ni]4[Ni(pzot)] (2a, P-P = dppe; 2b, P-P = dppy; 2c, P-P = dppb; 2d, P-P = dcpe) have been synthesized and characterized. Complex 2a crystallizes in the orthorhombic space group Cmc2(1) (No. 36) with 4 macrocycles and 16 solvent molecules (N,N-dimethylformamide) in a unit cell of dimensions a = 24.630(5) angstrom, b = 20.607(4) angstrom, c = 30.675(6) angstrom. The [Ni(pzot)]8- ligand in 2a coordinates four Ni(P-P) moieties around its periphery with the two thiolate sulfur atoms of each pyrrole binding a nickel ion in a bidentate (S-S) coordination mode. This is in contrast to the reaction of [Ni(pzot)]8- with SnR2X2, which yielded Ni(pzot)(SnR2)4 (1), where each tin is coordinated in the tridentate (S-N-S) mode, with the thiolate sulfur atoms from two pyrroles and one m-nitrogen atom as ligands from the macrocycle (Velazquez, C. S.; Fox, G. A.; Broderick, W. E.; Andersen, K; Anderson, O. P.; Barrett, A. G. M.; Hoffman, B. M. J. Am. Chem. Soc. 1992, 114, 7416-7424). Comparison of the crystal structures of 1,2a, and aquo(octakis(methylthio)porphyrazinato)magnesium(II) (Mg(omtp)), a structurally unconstrained reference compound with eight peripheral methylthio groups, shows that [Ni(pzot)]8- adjusts to accommodate either the (S-S) or (S-N-S) modes of coordinating the metal ions at the periphery by a swing of the C(beta)-S bond. H-1 and P-31 NMR studies have been used to determine the nature of the coordination of the Ni(P-P) units to the [Ni(pzot)]8- macrocycle in solution. Model compounds were synthesized as structural references to mimic both possible coordination sites of the [Ni(pzot)]8- ligand. The H-1 and P-31 NMR chemical shifts of macrocycles 2a-d and their respective bidentate model complexes clearly indicate that the macrocycle in solution also binds the Ni(P-P) units in a bidentate fashion. The electronic absorption spectra of complexes 2a-d show a red-shift of the absorbance in the Q-band region due to interaction of the porphyrazine pi-system with the four peripheral metal ions.