syn-[Mo2(μ-η1,η1-C2Ph2)(μ-S)(μ-S(i-Pr))2(η5-cyclooctadienyl)2] | 382624-46-6

• 英文名称: syn-[Mo2(μ-η1,η1-C2Ph2)(μ-S)(μ-S(i-Pr))2(η5-cyclooctadienyl)2]
• CAS: 382624-46-6
• 化学式: C₃₀H₃₄Mo₂S₃
• 分子量: 682.678
• InChiKey: XMOKTXUREYWWTO-UHFFFAOYSA-L

反应信息

• 作为反应物：
  描述：

  十二羰基三钌 、 syn-[Mo2(μ-η1,η1-C2Ph2)(μ-S)(μ-S(i-Pr))2(η5-cyclooctadienyl)2] 以 甲苯 为溶剂， 以23.9%的产率得到[Mo2Ru2(μ3-C2Ph2)(μ3-S)(μ-S(i-Pr))2(CO)4(η5-cyclopentadienyl)2]
  参考文献：
  名称：

  A dimolybdenum complex with an alkyne ligand parallel to the metal–metal bond: synthesis, structure and cluster formation reactions of [Mo2(µ-η1,η1-C2Ph2)(µ-S)(µ-SPri)2Cp2]

  摘要：

  The dimolybdenum alkyne complex [Mo2(μ-C2Ph2)(CO)4Cp2] 1 (Cp = η-C5H5), in which the alkyne ligand is perpendicular to the Mo–Mo bond, reacts with PriSH to afford two separable isomers of [Mo2(μ-η1,η1-C2Ph2)(μ-S)(μ-SPri)2Cp2] 2 in which the alkyne lies parallel to the Mo–Mo bond. In crystallographically characterised 2a the Pri substituents are both directed away from the alkyne ligand in a syn arrangement, creating a plane of symmetry, whereas in unsymmetrical 2b they are presumed to occupy an anti arrangement. Extended-Hückel molecular orbital calculations show that the alkyne orientation in 2 results in better overlap between the alkyne and metal orbitals, as well as reduced repulsive interactions with the bridging thiolate ligands. Both isomers of 2 react with [Ru3(CO)12] to afford the same two products: the tetrahedral cluster [Mo2Ru2(μ3-C2Ph2)(μ3-S)(μ-SPri)2(CO)4Cp2] 7 in which the alkyne ligand remains parallel to the Mo–Mo edge, and trinuclear [Mo2Ru(μ-C2Ph2)(μ3-S)2(CO)3Cp2] 8 in which the alkyne has resumed its original perpendicular orientation; the crystal structures of both clusters are reported.

  DOI：

  10.1039/b103698j
• 作为产物：
  描述：

  {bis-(η5-cyclopentadienyl)tetracarbonyl(diphenylacetylene)dimolybdenum} 、 异丙硫醇 以 甲苯 为溶剂， 以19.7%的产率得到syn-[Mo2(μ-η1,η1-C2Ph2)(μ-S)(μ-S(i-Pr))2(η5-cyclooctadienyl)2]
  参考文献：
  名称：

  A dimolybdenum complex with an alkyne ligand parallel to the metal–metal bond: synthesis, structure and cluster formation reactions of [Mo2(µ-η1,η1-C2Ph2)(µ-S)(µ-SPri)2Cp2]

  摘要：

  The dimolybdenum alkyne complex [Mo2(μ-C2Ph2)(CO)4Cp2] 1 (Cp = η-C5H5), in which the alkyne ligand is perpendicular to the Mo–Mo bond, reacts with PriSH to afford two separable isomers of [Mo2(μ-η1,η1-C2Ph2)(μ-S)(μ-SPri)2Cp2] 2 in which the alkyne lies parallel to the Mo–Mo bond. In crystallographically characterised 2a the Pri substituents are both directed away from the alkyne ligand in a syn arrangement, creating a plane of symmetry, whereas in unsymmetrical 2b they are presumed to occupy an anti arrangement. Extended-Hückel molecular orbital calculations show that the alkyne orientation in 2 results in better overlap between the alkyne and metal orbitals, as well as reduced repulsive interactions with the bridging thiolate ligands. Both isomers of 2 react with [Ru3(CO)12] to afford the same two products: the tetrahedral cluster [Mo2Ru2(μ3-C2Ph2)(μ3-S)(μ-SPri)2(CO)4Cp2] 7 in which the alkyne ligand remains parallel to the Mo–Mo edge, and trinuclear [Mo2Ru(μ-C2Ph2)(μ3-S)2(CO)3Cp2] 8 in which the alkyne has resumed its original perpendicular orientation; the crystal structures of both clusters are reported.

  DOI：

  10.1039/b103698j