Ni(η-dienyl)LBr dienyl=cyclopentadiene L=P(n-Bu)3 | 79058-06-3

• 英文名称: Ni(η-dienyl)LBr dienyl=cyclopentadiene L=P(n-Bu)3
• 英文别名: [NiBr(PBu3)(η5-C5H5)]；Ni(η5-C5H5)(PBu3)Br
• CAS: 79058-06-3
• 化学式: C₁₇H₃₂BrNiP
• 分子量: 406.009
• InChiKey: UPIMSIACYYKQEU-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  Ni(η-dienyl)LBr dienyl=cyclopentadiene L=P(n-Bu)3 、 4-[(4-Butoxyphenyl)methylideneamino]benzenethiol 在 (C₂H₅)3N 作用下， 以 甲苯 为溶剂， 以88%的产率得到Ni(η5-C5H5)(PBu3)(SC6H4NC(H)C6H4OC4H9)
  参考文献：
  名称：

  Synthesis and thermal behaviour of cyclopentadienylnickel(II) thiolato Schiff base complexes. Molecular structures of Ni(η5-C5H5)(PBu3)(SC6H4NC(H)C6H4C6H5) and Ni(η5-C5H5)(PBu3)(SC6H4NC(H)C6H4OC4H9)

  摘要：

  The new complexes Ni(eta (5)-C5H5)(PR3) (SC6H4NC(H)C6H4OCnH2n+1), Ni(eta (5)-C5H5)(PR3)(SC6H4NC(H)C6H4C6H5) and Ni(eta (5)-C5H5)(PR3)(SC6H4NC(H)C6H4OCH2C6H5), (R = Ph or Bu; n = 4, 6, 8, 10, 14, 16 and 20), were synthesised from equimolar amounts of Ni(eta (5)-C5H5)(PR3)Br (R = Ph or Bu) and the appropriate thiol ligand and were characterised by NMR and elemental analysis. In addition la and 3a were characterised by single crystal X-ray diffraction studies. These new complexes were also examined by thermal analytical methods (DSC and TGA) and polarising hot-stage microscopy, but were not found to exhibit any liquid crystalline behaviour. Thermal analysis showed that the complexes were generally stable up to about 180 degreesC and decomposed finally to a species with empirical formula NiSC6H5. Two decomposition pathways were established, depending on the phosphine used. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(01)00859-2

文献信息

• Cyclopentadienylnickel thiolate complexes: synthesis, molecular structures and electrochemical detection of sulfur dioxide adducts
  作者：Makwena J. Moloto、Simphiwe M. Nelana、Richard M. Moutloali、Ilia A. Guzei、James Darkwa

  DOI：10.1016/j.jorganchem.2003.10.027

  日期：2004.1

  techniques. Complexes 3, 6 and 7 were structurally characterized by X-ray crystallography, showing that they possess the familiar trigonal geometry around the nickel center. These complexes react with sulfur dioxide, with 5, 6, 7 and 8 exhibiting substantial differences between the redox potentials of the pre- and post-SO2 compounds to suggest that these complexes can be developed as potentiometric SO2 sensors

  镍之间的简单反应（η 5 -C 5 H ^ 5）（PR 3）Br和所述席夫碱硫醇，4-HSC 6 ħ 4 NC（H）C 4 H ^ 2 SBR-4 '（1）和4-HSC 6 ħ 4 NC（H）C 4 H ^ 3 S（2），或organothiols，HSC 6 ħ 4 F-4和HSC 6 ħ 4 NH 2 -4，式产生cyclopentadienylnickel硫醇盐，镍（η 5 -C 5高5）（PR3）（SC 6 H ^ 4 NC（H）C 4 H ^ 2 SBR-4）（3），镍（η 5 -C 5 H ^ 5）（PR 3）（SC 6 H ^ 4 NC（H）C 4 H ^ 3 S）（4）或Ni（η 5 -C 5 H ^ 5）（PR 3）（SC 6 H ^ 4 X-4）（R =苯基，X = F（6）或NH 2（7）和R =卜，X = F（5）或NH 2（8））的特点是结合了多种分析技术。配合物
• Bimetallic nickel complexes with bridging dithiolato Schiff base ligands: synthesis, mass spectral characterisation and electrochemistry
  作者：Richard M Moutloali、Funzani A Nevondo、James Darkwa、Emmanuel I Iwuoha、William Henderson

  DOI：10.1016/s0022-328x(02)01626-1

  日期：2002.8

  Schiff base dithiols with thiophene or phenyl linkers were prepared from condensation of the dialdehydes 2,5-(OHC)2C4H2S, 1,3-(OHC)2C6H4, 1,4-(OHC)2C6H4 and 1,4′-(OHC)2(C6H4)2 with 4-H2NC6H4(SH). The Schiff base dithiols readily reacted with Ni(η5-C5H5)(PR3)Br (R=Bu or Ph) in the presence of Et3N to form bimetallic complexes (η5-C5H5)(PR3)NiSC6H4NC(H)ArC(H)NC6H4SNi(PR3)(η5-C5H5) (Ar=C4H2S (6),

  与噻吩或苯基连接基的席夫碱的二硫醇从该二醛2,5-（OHC）的缩合来制备2 c ^ 4 ħ 2 S，1,3-（OHC）2 C ^ 6 ħ 4，1,4-（OHC）2 ç 6 ħ 4和1,4“ - （OHC）2（C 6 H ^ 4）2与4-H 2 NC 6 H ^ 4（SH）。席夫碱的二硫醇用Ni容易反应（η 5 -C 5 H ^ 5）（PR 3）溴（R =卜或pH）的Et的存在3N结合形成双金属络合物（η 5 -C 5 H ^ 5）（PR 3）NiSC 6 ħ 4 NC（H）ARC（H）NC 6 ħ 4 SNi（PR 3）（η 5 - C 5 H 5）（Ar = C 4 H 2 S（6），1,3-C 6 H 4（7），1,4-C 6 H 4（8），1,4'-（C 6 H 4）2（9）。双金属性质是通过元素分析和质谱确定的。配合物的循环伏安法6，8和9是表示经由桥接dithiolato席夫碱配体的镍中心之间的电子通信的。
• Preparation and spectra of a series of tautomeric compounds, [NiCo(η-dienyl)(CO)₄L](dienyl = C₅H₅or C₅H₄Me; L = tertiary phosphine or arsine)
  作者：A. R. Manning

  DOI：10.1039/dt9810001057

  日期：——

  A number of [NiCo(η-dienyl)(CO)4L] complexes (dienyl = C5H5 or C5H4Me; L = tertiary phosphine or arsine) have been prepared from [Ni(η-dienyl)LBr] and Na[Co(CO)4] in tetrahydrofuran solution. During this reaction the ligand L migrates from Ni to Co. Infrared, 1H n.m.r., and mass spectroscopy have been used to investigate the structure of these compounds, which in solution exist as an equilibrium mixture

  由[Ni（η-二烯基）LBr制备了许多[NiCo（η-二烯基）（CO）4 L]络合物（二烯基= C 5 H 5或C 5 H 4 Me； L =叔膦或a）。 ]和Na [Co（CO）4 ]在四氢呋喃溶液中的溶液。在此反应过程中，配体L从Ni迁移到Co。红外，1 H nmr和质谱已用于研究这些化合物的结构，这些化合物在溶液中以异构体的平衡混合物形式存在。一种具有[（η-二烯基）（OC）NiCo（CO）3 L]结构，没有桥接的CO基团。其余包含Ni（µ-CO）2Co部分，并为它们建议结构。平衡受溶剂，温度以及η-二烯基和L配体的变化影响。变温1个H核磁共振上[镍钴（η-C光谱研究5 ħ 5）（CO）4 P（C 6 H ^ 4 F- p）3 }]表明，在室温下的异构体的互变是在慢NMR时间标度。