(bis(1,2-diphenylphosphino)ethane)(maleonitriledithiolato)nickel(II) | 81097-96-3

• 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: (bis(1,2-diphenylphosphino)ethane)(maleonitriledithiolato)nickel(II)
• 英文别名: Ni(dppe)(1,2-dicyanoethene-1,2-dithiolate)；(maleonitriledithilato)(1,2-bis(diphenylphosphino)ethane)nickel(II)；Ni(dppe)(mnt)
• CAS: 81097-96-3
• 化学式: C₃₀H₂₄N₂NiP₂S₂
• 分子量: 597.303
• InChiKey: VRNKBSRZNRFRRP-LWFKIUJUSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  6.89
• 重原子数：
  37.0
• 可旋转键数：
  4.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  47.58
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (bis(1,2-diphenylphosphino)ethane)(maleonitriledithiolato)nickel(II) 以 neat (no solvent) 为溶剂， 生成 nickel(II) pyrophosphate 、 nickel metaphosphate
  参考文献：
  名称：

  Planar Ni(II) 1,2-dithiolenes involving bidentate P-donor ligands

  摘要：

  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.

  DOI：

  10.1016/j.poly.2009.07.067
• 作为产物：
  描述：

  1,2-双(二苯基膦)乙烷氯化镍 、 2,2-Dibutyl-4,5-dicyano-1,3,2-dithiastannol 以 氯仿 为溶剂， 以67%的产率得到(bis(1,2-diphenylphosphino)ethane)(maleonitriledithiolato)nickel(II)
  参考文献：
  名称：

  Star porphyrazines: peripheral chelation of porphyrazineoctathiolate by diphosphinonickel ions

  摘要：

  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.

  DOI：

  10.1021/ja00075a016

文献信息

• The synthesis and characterization of Ni, Pd and Pt maleonitriledithiolate complexes: X-ray crystal structures of the isomorphous Ni, Pd and Pt (Ph2PCH2CH2PPh2)M(maleonitriledithiolate) congeners
  作者：Katy G. Landis、Allen D. Hunter、Timothy R. Wagner、Larry S. Curtin、Francesca L. Filler、Susan A. Jansen-Varnum

  DOI：10.1016/s0020-1693(98)00218-7

  日期：1998.11

  The synthesis of a series of maleonitriledithiolate complexes of nickel, palladium and platinum phosphines having the formulae (dppe)M(mnt) and (Ph3P)2M(mnt) (where dppe = Ph2PCH2CH2PPh2, mnt = 1,2-dicyanoethene-1,2-dithiolate and M = Ni, Pd or Pt) from the reaction of Na2(mnt) and the appropriate (phosphine) MCl2 is reported. These complexes were characterized by a combination of mass spectrometry

  一系列具有式（dppe）M（mnt）和（Ph 3 P）2 M（mnt）（其中dppe = Ph 2 PCH 2 CH 2 PPh 2，mnt据报道，Na 2（mnt）和适当的（膦）MCl 2的反应中生成了1，2-二氰基乙烯-1,2-二硫代磺酸盐，M = Ni，Pd或Pt 。这些复合物通过质谱表征的组合，IR，紫外-可见和1 H. 13 C和311 H NMR光谱。另外，通过所有三个同类物的单晶X射线衍射表征标题复合物表明它们是同构的。衍射数据的分析表明，金属中心都是正方形平面，平面的mnt配体在金属正方形平面上略微倾斜，并且mnt配体最好描述为二硫代盐而不是二硫酮。
• Spectroelectrochemistry of nickel complexes. Voltammetric and ESR studies of the redox reactions of phosphine-dithiolate and phosphine-catecholate complexes of nickel
  作者：G. A. Bowmaker、P. D. W. Boyd、G. K. Campbell

  DOI：10.1021/ic00136a056

  日期：1982.6