Ni(diethyldithiocarbamate)(PPh3)Cl | 30052-07-4

• 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: Ni(diethyldithiocarbamate)(PPh3)Cl
• CAS: 30052-07-4
• 化学式: C₅H₁₀NS₂*C₁₈H₁₅P*Cl*Ni
• 分子量: 504.707
• InChiKey: JRSDMHUJQLHARA-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  1.61
• 重原子数：
  29.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  3.24
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  Ni(diethyldithiocarbamate)(PPh3)Cl 、 二苯基二硒醚 在 NaBH₄ 作用下， 以 甲醇 为溶剂， 以63%的产率得到Ni(diethyldithiocarbamate)(PPh3)(SePh)
  参考文献：
  名称：

  硒取代基对单核和双核硒化镍（II）配合物形成的影响。Ni（dtc）（PPh 3）（SeC 6 H 5）1的X射线结构

  摘要：

  单核和双核镍配合物，Ni（dtc）（PPh 3）（SeR）（dtc =二乙基二硫代氨基甲酸酯； R = C 6 H 5，C 6 H 4 Cl-4）和[Ni（dtc）（μ-SeR'）]通过用有机硒酸盐处理Ni（dtc）（PPh 3）Cl来制备2（R'= CH 3，CH 2 C 6 H 5）。Ni（dtc）（PPh 3）（SeR）与一当量的硫反应生成二聚体[Ni（dtc）（μ-SeR）] 2和SPPh 3。Ni（dtc）（PPh 3）（SeC 6 H 5）的单核性质通过X射线晶体学确定。复合物在单斜空间群P 2 1 / n中结晶，晶胞尺寸为a = 15.047（4），b = 10.286（2），c = 19.475（5）Å，β = 109.84（2）°，V = 2835（ 1）3和ž = 4。

  DOI：

  10.1016/s0020-1693(96)05408-4

文献信息

• Metal dithiocarbamates and related complexes. Part I. Reactions of tris(dithiocarbamato)nickel(IV) cations with Lewis bases
  作者：Jon A. McCleverty、Norman J. Morrison

  DOI：10.1039/dt9760000541

  日期：——

  [Ni(η-C5H5)I(PPh3)] and [Ni(SR″)(S2CNR2)}2](R″= Me, Pri, But, PhCH2, or Ph) are formed, respectively. The n.m.r., electronic, and i.r. spectral properties of these complexes are discussed. The complex [NiCl(PPh3)(S2CNEt2)] readily undergoes phosphine exchange with free PPh3, and while [Nil(dppe)(S2CNBun2)] is four-co-ordinate (iodide salt) in chlorinated hydrocarbon and polar sovents it is apparently five-co-ordinate

  [镍（S的治疗2 CNR 2）3 ] [PF 6 ]（R =的Et或卜ñ）与路易斯碱[L = CNR'（R'= PR我，卜吨，或C 6 H ^ 4氯离子p），PMePh 2或1 / 2Ph 2 PCH 2 CH 2 PPh 2（dppe）]产生[NiL 2（S 2 CNR 2）] [PF 6 ]；当L ＝ CNR′时，二硫秋兰姆（R 2 NCS 2）2也已分离。[Ni（S 2CNR 2）3 ]和[PF 6 ]与PPh 3一起得到PPh 3 S，[PPh 3 C（NR 2）S}]-[PF 6 ]和[Ni（S 2 CNR 2）2 ]。仅分离出非常低的[Ni（PPh 3）2（S 2 CNR 2）] [PF 6 ]。在[Ni（PPh 3）2（S 2 CNEt 2）] [PF 6 ]与（Et 2 NCS 2）之间的反应中获得了相似的产物2。物种[NiL 2（S 2 CNR 2）] [PF 6 ]（L
• Alonso, Gutierrez A.; Reventos, Ballester L., Journal of the Chemical Society, Dalton Transactions, 1988, p. 537 - 540
  作者：Alonso, Gutierrez A.、Reventos, Ballester L.

  DOI：——

  日期：——
• Darkwa, James; Koczon, Lenore M.; Rost, John M., Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry, 1993, vol. 23, p. 509 - 522
  作者：Darkwa, James、Koczon, Lenore M.、Rost, John M.

  DOI：——

  日期：——
• Synthesis and characterisation of mono- and dinuclear diethyldithiocarbamatonickel(II) organochalcogenide complexes
  作者：James Darkwa、Emmanuel Y. Osei-Twum、Luis A. Litorja

  DOI：10.1016/s0277-5387(98)00400-8

  日期：1999.3

  The reaction of Ni(dtc)(PR3)Cl (dtc=diethyldithiocarbamate, R=Ph or Bu) with HSC6H4Cl-4 or HSCH2C6H4Cl-4 and Et3N gave two types of complex. For PPh3, the products were [Ni(dtc)(mu-SC6H4Cl-4)](2) (1) and [Ni(dtc)(mu-SCH2C6H4Cl-4)](2) (2); whilst PBu3 gave Ni(dtc)(PBu3)(SC6H4Cl-4) (3). The structure of freshly prepared 3 was determined to be monomeric, as indicated by X-ray diffraction studies. However, at room temperature in solution, 3 was observed to slowly convert to 1. Structural identification of 1 and 2 and similar dimers, and structural identification of 3 and analogous monomers, were investigated by mass spectrometry. Electron impact mass spectrometry (EIMS) failed to confirm the proposed structures due to extensive decomposition in the mass spectrometer. In the electron impact (EI) mode, all complexes invariably decomposed to Ni(dtc),; on the other hand, fast atom bombardment (FAB) ionisation gave the expected molecular ions for all compounds. (C) 1999 Elsevier Science Ireland Ltd. AII rights reserved.
• Cyclic voltammetric and infrared spectral studies on the interaction of Ni(II) dithiocarbamates with triphenylphosphine and the crystal and molecular structure of diethyldithiocarbamatobis(triphenylphosphine)nickel(II)perchlo-rate, [Ni(dedtc)(PPh3)2]ClO4
  作者：K. Ramalingam、G. Aravamudan、M. Seshasayee

  DOI：10.1016/s0020-1693(00)86550-0

  日期：1987.4