| 948307-50-4

• CAS: 948307-50-4
• 化学式: C₂B₄O₂
• 分子量: 99.2648
• InChiKey: NAMXILJRUGPXPE-UHFFFAOYSA-N

反应信息

• 作为产物：
  描述：

  一氧化碳 、 硼烷 以 neat (no solvent, gas phase) 为溶剂， 生成
  参考文献：
  名称：

  B₄(CO)₂:  A New, Observable σ−π Diradical

  摘要：

  A new sigma-pi diradical, B4(CO)2, prepared in matrix isolation, was characterized unambiguously by isotopic-substitution infrared spectroscopy and by theoretical computations. Both open-shell singlet and triplet states have three pi electrons but are aromatic with moderately large NICS values. Quantum chemical calculations at various levels indicate that the open-shell singlet is slightly more stable than the triplet state. However, the singlet and triplet are computed to have very similar IR features which do not allow experimental differentiation.

  DOI：

  10.1021/ja027865s