[(acetylacetonate)Ni(N(1),N(2)-bis(2-pyridylmethyl)-N(3),N(4)-bis(2,4,6-trimethylphenyl)oxalamidinate)Ni(acetylacetonate)] | 360557-04-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: [(acetylacetonate)Ni(N(1),N(2)-bis(2-pyridylmethyl)-N(3),N(4)-bis(2,4,6-trimethylphenyl)oxalamidinate)Ni(acetylacetonate)]
• 英文别名: [Ni(acac)]2(N(1),N(2)-bis(2-pyridylmethyl)-N(3),N(4)-bis(2,4,6-trimethylphenyl)oxalamidinate)
• CAS: 360557-04-6
• 化学式: C₄₂H₄₈N₆Ni₂O₄
• 分子量: 818.261
• InChiKey: PUFHFZDGMXOMCO-UHFFFAOYSA-N

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：

  [(acetylacetonate)Ni(N(1),N(2)-bis(2-pyridylmethyl)-N(3),N(4)-bis(2,4,6-trimethylphenyl)oxalamidinate)Ni(acetylacetonate)] 、 乙炔钠 以 四氢呋喃 为溶剂， 以56%的产率得到[(acetylide-Ni)(N(1),N(2)-bis(2-pyridylmethyl)-N(3),N(4)-bis(2,4,6-trimethylphenyl)oxalamidinate)(Ni-acetylide)]
  参考文献：
  名称：

  双核[RNi（oxam）NiR]配合物（oxam = N 1，N 2-双（2-吡啶基甲基）-N 3，N 4-双（2,4,6-三甲基苯基）草酰氨基; R = Me，Ph，C ⋮CH，C⋮CPh）：甲基络合物的反应和[Li（THF）] 2 Li 2 Ni 2 Me 8和[Li（THF）] 4 Ni 2 Me 8 †的形成

  摘要：

  1当量的[{（acac）Ni} 2（A）]和2当量的LiR在THF中的反应得到双核有机金属配合物[（RNi）2（A）]（A：  N 1，N 2 -bis（ 2-吡啶基甲基）-N 3，N 4-双（2,4,6-三甲基苯基）草酰二酰胺；1：R = Me; 2：R = Ph）。类似地，图3b（R = C⋮C-H，由[{（ACAC）的Ni}形成2（A）]和乙炔钠。的反应1与苯乙炔导致复合物的形成图3a（R = C⋮C- Ph），并伴随着甲烷的释放（化合物1）- 3通过其特征在于1 H和13 C NMR光谱，元素分析和质谱。另外，通过X射线晶体学测定1和3b的分子结构。配合物的NMR光谱显示非常简单的图案，因此表明在溶液中仅存在一种异构体，该异构体包含具有平面Ni（II）中心的高度对称结构。X射线研究证实，两个Ni（II）中心通过草酰胺键桥A连接在一起，该桥以三齿方式在每个Ni原子上进行配位。金属中心

  DOI：

  10.1021/om000960u

文献信息

• Nickel(II) complexes of the type [RM(oxam)MR] (oxam: oxalamidinate, R=n-butyl, n-hexyl): the first binuclear n-alkyl nickel complexes
  作者：Michael Stollenz、Manfred Rudolph、Helmar Görls、Dirk Walther

  DOI：10.1016/j.jorganchem.2003.07.021

  日期：2003.12

  The reaction between one equivalent of [(acac)Ni(A)Ni(acac)] (A: N-1,N-2-bis(2-pyridylmethyl)-N-3,N-4-bis-(2,4,6-trimethylphenyl)oxalamidinate) and two equivalents of R-Li (R = n-butyl; n-hexyl) results in the formation of the binuclear complexes [(R-Ni)(A)(Ni-R)] (1: R = n-butyl: 2 = n-hexyl). Both compounds were characterized by H-1- and C-13-NMR spectroscopy, elemental analysis, and mass spectroscopy. X-ray single diffraction studies of single crystals of 1 and 2 show that symmetrical binuclear complexes are formed in which the two Ni(II) centers are connected by the oxalamidinato bridging ligand A in a planar-square environment. No agostic interactions between the beta-hydrogens of the n-alkyl groups and the metal centers were observed. DTA- and DTG-investigations show, that 1 and 2 are surprisingly thermally stable (decomposition temperature of 1: 188 degreesC under formation of butenes). Heating up a 1:1 mixture of 1 and 2 in toluene results in the formation of octane, decane and dodecane indicating an intermolecular transfer reaction of the n-alkyl-groups in solution. CV measurements display that the oxam complexes [(R-M)(A)(M-R)] (M=Ni, R=CH3 (3), Ph (4), CCH (6), CCPh (7); M=Pd, R=CH3 (5) are reversibly reduced in two steps indicating electronic interactions between the two metal centers. (C) 2003 Elsevier B.V. All rights reserved.