| 118486-46-7

• CAS: 118486-46-7
• 化学式: CO*Sc
• 分子量: 72.9663
• InChiKey: IMUFNVPBFBPBMD-UHFFFAOYSA-N

反应信息

• 作为产物：
  描述：

  氢化钪 、 一氧化碳 以 solid matrix 为溶剂， 生成 scandium monocarbonyl 、 scandium dicarbonyl 、 scandium tricarbonyl 、 scandium tetracarbonyl 、
  参考文献：
  名称：

  Observation of Anomalous C−O Bond Weakening on Discandium and Activation Process to CO Dissociation

  摘要：

  Sc2[eta2(mu2-C,O)], the first homoleptic dinuclear metal carbonyl with an unprecedented bridging and side-on-bonded CO, generated from the reaction of laser-ablated Sc atoms with CO in a solid argon matrix, exhibits an unusually low C-O stretching frequency at 1193.4 cm-1, characteristic of an anomalously weakened C-O bond. This CO-activated molecule undergoes ultraviolet-visible photoinduced rearrangement to the CO-dissociated molecule, c-Sc2(mu-C)(mu-O). The infrared absorptions of the new molecules are accurately predicted by quantum chemical calculations, and the activation energy for the isomerization of Sc2[eta2(mu2-C, O)] to c-Sc2(mu-C)(mu-O) is calculated to be 15.10 kcal/mol. Our experimental and theoretical results schematically depict an activation process to CO dissociation.

  DOI：

  10.1021/ja0442421