| 115160-90-2

• CAS: 115160-90-2
• 化学式: CCoO₂
• 分子量: 103.003
• InChiKey: ZRIKNIHPZNFRLR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  在 electron 作用下， 以 solid matrix 为溶剂， 生成
  参考文献：
  名称：

  Infrared Spectra of OMCO (M = Cr−Ni), OMCO^- (M = Cr−Cu), and MCO₂^- (M = Co−Cu) in Solid Argon

  摘要：

  Laser-ablated late transition metal atoms Cr through Ni react with CO2 molecules to give the insertion products OMCO, which have been isolated in solid argon. The insertion OMCO- molecular anions (Cr through Cu) were formed by electron capture and/or reaction with CO2-, and the addition MCO2- anions (M = Co, Ni, Cu) were produced by direct react:ion with CO2-. The excellent agreement between the observed frequencies and isotopic frequency ratios with those calculated by density functional theory supports these assignments.

  DOI：

  10.1021/jp984439d
• 作为产物：
  描述：

  钴 在 一氧化碳 、 臭氧 作用下， 以 gas 为溶剂， 生成
  参考文献：
  名称：

  Trends in the optical signatures for transition-metal oxide carbonyl complexes. Evaluation of transition-metal carbonyl, M(CO)x, binding energies

  摘要：

  DOI：

  10.1021/ja00224a007

文献信息

• Infrared Spectroscopic and Density Functional Theory Study on the Reactions of Rhodium and Cobalt Atoms with Carbon Dioxide in Rare-Gas Matrixes
  作者：Ling Jiang、Yun-Lei Teng、Qiang Xu

  DOI：10.1021/jp0728095

  日期：2007.8.1

  Reactions of laser-ablated rhodium and cobalt atoms with carbon dioxide molecules in solid argon and neon have been investigated using matrix isolation infrared spectroscopy. The OMCO, O2MCO, OMCO(-) (M = Rh, Co), OCo2CO, and OCoCO(+) molecules have been formed and characterized on the basis of isotopic shifts, mixed isotopic splitting patterns, ultraviolet irradiation, CCl4-doping experiments, and

  使用基质隔离红外光谱研究了激光烧蚀的铑和钴原子与固体氩气和氖气中二氧化碳分子的反应。OMCO，O2MCO，OMCO（-）（M = Rh，Co），OCo2CO和OCoCO（+）分子已经形成，并根据同位素位移，混合同位素分裂模式，紫外线照射，CCl4掺杂实验进行了表征，以及激光功率的变化 对这些产品进行了密度泛函理论计算。实验和计算的振动频率，相对吸收强度和同位素位移之间的总体一致性支持从基质红外光谱中鉴定这些产物。