| 823818-05-9

• CAS: 823818-05-9
• 化学式: C₂B₂O₂
• 分子量: 76.0208
• InChiKey: GCHAMEXACLDHFX-QNGFNXCSSA-N

反应信息

• 作为产物：
  描述：

  一氧化碳 、 硼烷 以 solid matrix 为溶剂， 生成 、 boron monocarbonyl
  参考文献：
  名称：

  OCBBCO:  A Neutral Molecule with Some Boron−Boron Triple Bond Character

  摘要：

  Molecules that contain boron-boron multiple bonds are extremely rare due to the electron-deficient nature of boron. Here we report experimental and theoretical evidence of a neutral OCBBCO molecule with some boron-boron triple bond character. The molecule was produced and unambiguously characterized by matrix isolation infrared spectroscopy. Quantum chemical calculations indicate that the molecule has a linear singlet ground state with a very short boron-boron bond length.

  DOI：

  10.1021/ja026257+

文献信息

• Experimental and theoretical characterization of a linear NNBCO molecule
  作者：Mohua Chen、Qingyu Kong、Mingfei Zhou

  DOI：10.1016/s0022-2860(03)00364-8

  日期：2003.9

  The reaction products of boron atoms with CO and N 2 mixtures in solid argon have been studied by matrix isolation infrared spectroscopy and quantum chemical calculations. Besides the previously reported boron carbonyl molecules, new absorptions at 1892.2 and 1884.7 cm −1 were also produced. Isotopic substitution ( 11 B, 13 CO, 15 N 2 and mixtures) shows that the new vibration involves one boron, one

  摘要 利用基体隔离红外光谱和量子化学计算研究了硼原子与CO和N 2 混合物在固体氩气中的反应产物。除了先前报道的羰基硼分子之外，还产生了在 1892.2 和 1884.7 cm -1 处的新吸收。同位素取代（ 11 B、 13 CO、 15 N 2 和混合物）表明新的振动涉及一个硼、一个 CO 和一个 N 2 ，这确定了 NNBCO 分子。量子化学计算表明，NNBCO 分子具有线性结构的双基态。