3-PPh3-4-SMe2-3,1,2-closo-CuC2B9H10 | 134747-10-7

• 英文名称: 3-PPh3-4-SMe2-3,1,2-closo-CuC2B9H10
• CAS: 134747-10-7
• 化学式: C₂₂H₃₁B₉CuPS
• 分子量: 519.373
• InChiKey: MHFYDODOHONFED-UHFFFAOYSA-N

反应信息

• 作为产物：
  描述：

  Tl{9-SMe2-7,8-nido-C2B9H10} 、 Cu(PPh3)3Br 以 二氯甲烷 为溶剂， 以75%的产率得到3-PPh3-4-SMe2-3,1,2-closo-CuC2B9H10
  参考文献：
  名称：

  The synthesis and molecular structure of 3-PPh3- 4-SMe2-3,1,2-closo-CuC2B9H10: Relationship of its structure to those of 10,11-μ-H-9-SMe2-7,8-nido- C2B9H10 and 10,11-μ-(PPh3Au)-9-SMe2-7,8-nido-C2B9H10

  摘要：

  Stoichiometric reaction between Tl[9-SMe2-7,8-nido-C2B9H10] and [Ph3PCuBr]4 affords the title compound in good yield. Crystallographic analysis of this species shows that the copper atom is essentially symmetrically disposed above the five-atom ligand face thus completing a closo 12 vertex polyhedron. In contrast, in the formally related species 10,11-mu-H-9-SMe2-7,8-nido-C2B9H10 and 10, 11-mu-(PPh3Au)-9-SMe2-7,8-nido-C2B9H10 the hydrogen atom and {Ph3PAu} fragment occupy bridging positions on an open face, whereas in anionic non-SMe2-substituted analogues of the last two the hydrogen atom and {Ph3PAu} fragment adopt endo-terminal sites. These differences in respect to the SMe2-substituted compounds are traced to the form of the HOMO of the [9-SMe2-7,8-nido-C2B9H10]-ligand. Inspection of the three occupied pi-MOs of this ligand additionally yields a semi-quantitative understanding of patterns visible in the facial B-B, B-C and C-C distances of 3-PPh3-4-SMe2-3,1,2-closo-CuC2B9H10, 10,11-mu-H-9-SMe2-7,8-nido-C2B9H10 and 10, 11-mu-(PPh3Au)-9-SMe2-7,8-nido-C2B9H10.

  DOI：

  10.1016/s0277-5387(00)80215-6