(μ-2,2'-bipyrimidine)[Mo(CO)2(P(n-Bu)2)2]2 | 162291-21-6

• 英文名称: (μ-2,2'-bipyrimidine)[Mo(CO)2(P(n-Bu)2)2]2
• CAS: 162291-21-6
• 化学式: C₆₀H₁₁₄Mo₂N₄O₄P₄
• 分子量: 1271.36
• InChiKey: IKLLCXSFQVVOJM-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：

  tris(tri-n-butylphosphane)acetonitrilemolybdenumdicarbonyl 、 2 2'-联嘧啶 以 正己烷 为溶剂， 以60%的产率得到(μ-2,2'-bipyrimidine)[Mo(CO)2(P(n-Bu)2)2]2
  参考文献：
  名称：

  Metal—metal interaction in ligand-bridged dimolybdenum(0,0) and -(I,0) complexes with very small frontier orbital gaps: electrochemistry and spectroscopic properties of three neighboring oxidation states

  摘要：

  Complexes (mu-L)[Mo(CO)(2)(P(n)Bu(3))(2)](2) with cis-carbonyl. ligands and symmetrically bridging bis(alpha-diimine) che)ate ligands L=2,2'-bipyrimidine (bpym) and 2,5-bis(2-pyridyl)pyrazine (2,5-bppz) were synthesized and studied in different oxidation states by cyclic voltammetry, H-1 NMR, EPR, IR and UV-Vis-NIR absorption spectroscopy. The combination of two very electron rich d(6) metal centers with one pi accepting bridging ligand results in rather small HOMO-LUMO energy gaps, as evident from differences of about 1 V between the potentials for reversible oxidation and reduction and from intense charge transfer absorptions at about 1 eV, i.e. in the near-infrared (NIR) region. Whereas the shifts of the carbonyl vibrational bands are about equal for the reduction (low-energy shift) and the oxidation (high-energy shift) of the more stable bpym complex, the EPR results reveal occupation of the alpha-diimine pi* orbitals in the anionic forms and an Mo(I)/Mo(0) mixed-valent state with a comproportionation constant K-c greater than 10(8) for the cation ((bpym)[Mo(CO)(2)(P(n)Bu(3))(2)](2)])(+). Electronic transitions observed by W-Vis-IR spectroelectrochemistry confirm these assignments of the redox orbitals; the maximum of the weak metal-to-metal charge transfer band of the mixed-valent complex ((bpym)[Mo(CO)(2)(P(n)Bu(3))(2)](2)}(+)) was found at 3700 nm (2700 cm(-1)).

  DOI：

  10.1016/0020-1693(94)04239-r