[(n-hexyl-Ni)(N(1),N(2)-bis(2-pyridylmethyl)-N(3),N(4)-bis(2,4,6-trimethylphenyl)oxalamidinate)(Ni-n-hexyl)] | 647841-22-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: [(n-hexyl-Ni)(N(1),N(2)-bis(2-pyridylmethyl)-N(3),N(4)-bis(2,4,6-trimethylphenyl)oxalamidinate)(Ni-n-hexyl)]
• CAS: 647841-22-3
• 化学式: C₄₄H₆₀N₆Ni₂
• 分子量: 790.381
• InChiKey: HMXSHAWWGNZVPV-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

• 作为产物：
  描述：

  [(acetylacetonate)Ni(N(1),N(2)-bis(2-pyridylmethyl)-N(3),N(4)-bis(2,4,6-trimethylphenyl)oxalamidinate)Ni(acetylacetonate)] 、 正己基锂 以 四氢呋喃 、 正己烷 为溶剂， 以49%的产率得到[(n-hexyl-Ni)(N(1),N(2)-bis(2-pyridylmethyl)-N(3),N(4)-bis(2,4,6-trimethylphenyl)oxalamidinate)(Ni-n-hexyl)]
  参考文献：
  名称：

  Nickel(II) complexes of the type [RM(oxam)MR] (oxam: oxalamidinate, R=n-butyl, n-hexyl): the first binuclear n-alkyl nickel complexes

  摘要：

  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.

  DOI：

  10.1016/j.jorganchem.2003.07.021