(η5-C5Me5WH3)B4H8 | 212269-91-5

• 英文名称: (η5-C5Me5WH3)B4H8
• CAS: 212269-91-5
• 化学式: C₁₀H₂₆B₄W
• 分子量: 373.41
• InChiKey: MAOUWEXQHFAORQ-UHFFFAOYSA-N

反应信息

• 作为反应物：
  描述：

  dichloroborane methyl sulfide complex 、 (η5-C5Me5WH3)B4H8 以 甲苯 为溶剂， 以12%的产率得到(η5-C5Me5W)2B5H8Cl
  参考文献：
  名称：

  Chlorinated Hypoelectronic Dimetallaborane Clusters: Synthesis, Characterization, and Electronic Structures of (η⁵-C₅Me₅W)₂B₅H_nCl_m (n = 7, m = 2 and n = 8, m = 1)

  摘要：

  Pyrolysis of (eta(5)-C5Me5WH3)B4H8, 1, in the presence of excess BHCl2 center dot SMe2 in toluene at 100 degrees C led to the isolation of (eta(5)-C5Me5W)(2)B5H9, 2, and B-Cl inserted (eta(5)-C5Me5W)(2)B5H8Cl, 3, and (eta(5)-C5Me5W)(2)B5H7Cl2, (four isomers). All the Chlorinated tungstaboranes were isolated as red and air and moisture sensitive solids. These new compounds have been characterized in solution by H-1, B-11, C-13 NMR, and the structural types were unequivocally established by crystallographic analysis of compounds 3, 4, and 7. Density functional theory (DFT) calculations were carded out on the model molecules of 3-7 to elucidate the actual electronic structures of these chlorinated species. On grounds of DFT calculations we demonstrated the role of transition metals, bridging hydrogens, and the effect of electrophilic substitution of hydrogens at B-H vertices of metallaborane structures.

  DOI：

  10.1021/ic900467d