[Mo2(μ-HCCMe)(CO)4(η(5)-C5H5)2] | 63511-24-0

• 英文名称: [Mo2(μ-HCCMe)(CO)4(η(5)-C5H5)2]
• CAS: 63511-24-0
• 化学式: C₁₇H₁₄Mo₂O₄
• 分子量: 474.176
• InChiKey: GDHIJMZEMAPRSB-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：

  盐酸 、 [Mo2(μ-HCCMe)(CO)4(η(5)-C5H5)2] 以 正庚烷 为溶剂， 以67%的产率得到[Mo2Cl(μ-HC=CHMe)(CO)4(η(5)-C5H5)2]
  参考文献：
  名称：

  Bridging alkenyl species from the protonation of ditungsten, tungsten-molybdenum and dimolybdenum transverse alkyne complexes with HCl and CF3COOH. Crystal structure of [WMoCl{μ-(E)-HCCHPh}(CO)4(η5-C5H5)2]

  摘要：

  Some Group 6 transition metal complexes with bridging alkyne ligands [MM'(mu-HCCMe)(CO)(4)(eta(5)-C5H5)(2)] [MM' = W-2 1; WMo 2; Mo-2 3] and [WMo(mu-HCCPh)(CO)(4)(eta(5)-C5H5)(2)] (5) were treated with hydrogen chloride to afford respectively [MM'Cl(mu-HC=CHMe)(Co)(4)(eta(5)-C5H5)(2)] [MM'=W-2 (6); WMO (7a); Mo-2 (8)] and [WMoCl(mu-HC=CHPh)(CO)(4)(eta(5)-C5H5)(2)] (9a). Similarly, the complexes [WMo(mu-HCCMe)(CO)(4)(eta(5)-C5H5)(2)] (2) and [MM'(mu-HCCPh)(CO)(4)(eta(5)-C5H5)(2)][MM'=W-2 (4); WMo (5)] were treated with trifluoroacetic acid to give respectively [WMo(CF3COO)(mu-HC=CHMe)(CO)(4)(eta(5)-C5H5)(2)] (7b) and [MM'(CF3COO)(mu-HC=CHPh)(CO)(4)(eta(5)-C5H5)(2)][MM'=W-2 (10); WMo (9b)]. All the products 6-10 result from anti Markovnikov addition of a proton to the bridging alkyne groups in 1-5, and contain (E)-alkenyl ligands, mu-HC=CHR, sigma-bonded to one metal centre and ir-bonded to the other. The metal centre to which the alkenyl ligand is sigma-bonded in 6-10 is also coordinated by a conjugate base (Cl- or CF3COO-).In the case of 9a a single-crystal X-ray diffraction study shows that the W centre has been formally oxidised from W(+1) to W(+3), with both the alkenyl and chloro groups sigma-bonded to it, while the Mo centre is pi-coordinated by the alkenyl group and remains in oxidation state(+1).

  DOI：

  10.1016/0022-328x(94)05268-g
• 作为产物：
  描述：

  tetracarbonyldicyclopentadienyldimolybdenum 、 以 四氢呋喃 为溶剂， 以81%的产率得到[Mo2(μ-HCCMe)(CO)4(η(5)-C5H5)2]
  参考文献：
  名称：

  Reaction of ruthenium and iron alkynyl complexes with [Mo2(CO)4(η-C5H5)2] ‡

  摘要：

  钼二聚体[Mo2(CO)4(δ--C5H5)2]与[M(CCR)(CO)2(δ--C5H5)]（M =  Ru 或 Fe，R =  Me 或 Ph）的反应根据炔基金属的不同而产生不同的产物。含钌的起始材料产生了预期的二钼炔基加合物，这是唯一可分离的材料，产率适中。与此相反，铁炔基物经过 FeâC 键裂解，通过一种尚未确定的机理得到简单的已知炔加合物 [Mo2(µ-δ-2-HC2R)(CO)4(δ--C5H5)2]。溶液核磁共振研究观察到了[Mo2{Ru(µ-CCMe)(CO)2(δ--C5H5)}(CO)4(δ--C5H5)2]复合物的通性；钼羰基在室温下的平衡机制必须涉及中央 Mo2C2 核心的破坏。

  DOI：

  10.1039/a708734i