cis-Mo2(O2CCH3)2Cl2(η(2)-bis(2-pyridyl)amine) | 229491-21-8

• 英文名称: cis-Mo2(O2CCH3)2Cl2(η(2)-bis(2-pyridyl)amine)
• CAS: 229491-21-8
• 化学式: C₁₄H₁₅Cl₂Mo₂N₃O₄
• 分子量: 552.077
• InChiKey: ADVVJRJIQFOLJJ-UHFFFAOYSA-J

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：

  2,2'-二吡啶胺 、 trans-Mo2(O2CCH3)2Cl2(PPh3)2 以 二氯甲烷 为溶剂， 以63%的产率得到cis-Mo2(O2CCH3)2Cl2(η(2)-bis(2-pyridyl)amine)
  参考文献：
  名称：

  Dimolybdenum complexes of bis(2-pyridyl)amine (Hdpa) ligand and its anion (dpa−); transformation of chelating η2-Hdpa to bridging η2-dpa−

  摘要：

  The reaction of trans-Mo-2(O2CCR3)(2)X-2(PPh3)(2) with 1 equiv. of Hdpa (HdDa = bis(2-pyridyl)amine) in CH2Cl2 afforded the complex cis-Mo-2(O2CCR3)(2)X-2(eta(2)-Hdpa) (R = H, X = Cl, 1; R = H, X = Br, 2; R = F, X = CI, 3, R = F, X = Br, 4). Layering of a Mo-2(O2CCF3)(4) solution in CH2Cl2 with Hdpa in ether produced red and yellow crystals, which were characterized as Mo-2(eta(2)-dpa)(4) (5), and Mo-2(O2CCF3)(4)(eta(1)-HO2CCF3)(2). 2Hdpa (6), respectively. Complex 5 can also be prepared by reaction of trans-Mo-2(O2CCR3)(2)X-2(PPh3)(2) with excess Hdpa. Their UV-Vis and IR spectra have been recorded and the structures of 4, 5 and 6 have been determined. The Hdpa ligand in 4 is coordinated to the metal centers via two terminal pyridine nitrogen atoms with a cis-N conformation. The dpa(-) ligands in 5 are bridged to the metal centers via one terminal nitrogen atom and the central nitrogen atom. The aligned-N conformation of the dpa- ligand is stabilized by both the intramolecular Mo ... N and C-H ... N interactions. In 6, the CF3COOH ligands coordinate to the metal centers in the axial positions with eta(1)-bonding modes and the Hdpa molecules adapt cis-N conformations. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(99)00049-3