| 161503-50-0

• CAS: 161503-50-0
• 化学式: C₃₄H₅₉CoMoO₅P₂
• 分子量: 764.72
• InChiKey: HFVINTLSQDYTTE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  以 further solvent(s) 为溶剂， 生成
  参考文献：
  名称：

  Low-Temperature FTIR Study of the Photochemistry of CpMo(CO)3-Co(CO)4 and Related Heterodinuclear Complexes

  摘要：

  Low-temperature flash photolysis of CpMo(CO)(3)-Co(CO)(4) (A) or CpMo(CO)(3)-Co(CO)(3)(P(n-Bu)(3)) (B) in 3MP glass results in loss of CO as the only IR-detectable photoprocess. Flash photolysis of CpMo(CO)(2)(P(n-Bu)(3))-Co(CO)(3)(P(n-Bu)(3)) (C), however, results in loss of P(n-Bu)(3) as the major photoprocess with loss of CO as a minor process. An initially observed solvento species, 1, produced in photolysis of A at 92 K rearranges to form a symmetrically bridging species, 2. Symmetrically bridging species, 3 and 4, and linear semibridging species, 5 and 6, are observed initially in the photolysis of B at 93 K. When the temperature is raised. 3 and 4 rearrange to form 6 while 5 isomerizes to form another linear semibridging species, 7. When B is photolyzed at 143 K, only 6 and 7 are still observable. All CO-loss intermediates recombine with expelled free CO to re-form the starting compound. If B is photolyzed in the presence of P(n-Bu)(3) at 93 K, the four initially formed intermediates, 3-6, are observed to react with P(n-Bu)(3) when the glass is warmed, yielding compound C through intermediates 8-10. Photolysis of C at 93 K yields initially the same four intermediates, 3-6, as photolysis of B and another intermediate, 11, upon loss of P(n-Bu)(3) and CO, respectively. Some of the four intermediates react with expelled free CO, giving rise to compound B; some react with the lost free P(n-Bu)(3), re-forming C, also through the same intermediates, 8-10. All the experimental observations, together with results from thermal reactions with (CO)-C-13, can be explained by the selective loss of CO or P(n-Bu)(3) from the Mo end of the molecule for B and C, respectively. A detailed mechanism of the photochemical behaviors of the substituted compounds and structures of the observed intermediates (including ring-slippage structures) are proposed. Steric and electronic effects on formation and stabilities of linear semibridging species are discussed.

  DOI：

  10.1021/ic00116a014
• 作为产物：
  描述：

  以 甲苯 为溶剂， 生成
  参考文献：
  名称：

  异双核化合物CpMo（CO）3-Co（CO）4的热和光化学取代与歧化反应

  摘要：

  The thermal and photochemical substitution and disproportionation reactions of the heterodinuclear CpMo(CO)(3)-Co(CO)(4) complex (1) with phosphorus-donor ligands in 3-methylpentane (3MP) and CH2Cl2 were investigated. A CO dissociative pathway, leading to substitution, and a radical chain pathway initiated by associative attack of the ligand, leading to disproportionation, have been found to be operative in the thermal reactions. Reaction products differ, depending on the electronic and steric requirements of the ligand. Substitution on Co is observed foe all the phosphorus ligands. For P(n-Bu)(3), PPh(3), P(OMe)(3), and P(OPh)(3), small amounts of substitution on Mo have also been observed in addition to the major Co substitution. For ligands such as PPh(3), P(i-Pr)(3), P(c-Hx)(3), and P(OPh)(3), monosubstitution is the only observable process in 3MP; it occurs exclusively on Co for very bulky ligands P(i-Pr)(3) and P(c-Hx)(3). Reactions with P(n-Bu)(3) and P(OMe)(3) under normal thermal conditions favor a disproportionation pathway, forming the ionic product [CpMo(CO)(2)L(2)](+)[Co(CO)(4)](-) (L = P(n-Bu)(3) or P(OMe)(3)). Trace quantities of oxygen in the solution quench the thermally-induced radical chain processes. Upon photochemical initiation of the disproportionation reaction in CH2Cl2, small amounts of [Co(CO)(3)L(2)](+) and [CpMo(CO)(3)](-) are also formed in addition to [CpMo(CO)(2)L(2)](+) and [Co(CO)(4)](-) (L = PPh(3), P(i-Pr)(3), or P(c-Hx)(3)). The X-ray crystal structure of [CpMo(CO)(2)(P(n-Bu)(3))(2)][Co(CO)(4)] is reported.

  DOI：

  10.1021/om00003a058