| 165609-81-4

• CAS: 165609-81-4
• 化学式: CBe₂O
• 分子量: 46.0348
• InChiKey: OANOXLWJWOBPPD-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：
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• 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

• 作为产物：
  描述：

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

  Infrared Spectra of Beryllium Carbonyls from Reactions of Beryllium Atoms with Carbon Monoxide in Solid Argon

  摘要：

  Pulsed laser evaporated beryllium atoms have been reacted with Ar:CO gaseous mixtures during condensation onto a 10 K substrate. Identification of several novel beryllium carbonyls is made on the basis of further reactions on sample warming to 30 K, changes in relative Be/CO concentration, (CO)-C-13 and (CO)-O-18 isotopic substitution, and ab initio calculations at the SCF level using the 6-311G* basis sets. Although the tripler BeCO molecule has weak bonding character, it is less stable than Be + CO and cannot be formed on annealing in solid argon. The primary product infrared bands from the reaction of Be + CO during condensation are identified as BeBeCO and OCBeBeCO, which are decreased on broadband photolysis and also reproduced on annealing the matrix. Secondary product bands due to higher carbonyls grow strongly on annealing and are identified as the stable Be(CO)(2), Be(CO)(3), BeBe(CO)(2), (OC)BeBe(CO)(2), and (OC)(2)BeBe(CO)(2) molecules. The former four new beryllium carbonyls are characterized by Be-C as well as C-O stretching fundamentals. It is clear that clustering of Be atoms and CO molecules leads to product formation in these experiments.

  DOI：

  10.1021/ic00115a024