A mechanistic study was undertaken of the ozonolysis of ruthenocene using a combination of matrix isolation, infrared spectroscopy, and computational methods.  No evidence of thermal reaction was observed upon initial twin jet deposition, but irradiation with UV light showed the formation of a number of product peaks. Oxygen-18 isotopic substitution experiments combined with theoretical calculations were used to identify products formed. Calculations were completed in Gaussian09 using the B3LYP functional with an SDD basis set. Product peaks thus far indicate the presence of a carbonyl and, potentially, additional products. Further analysis is ongoing. Merged jet results will also be presented.

Mechanistic study of the ozonolysis of ruthenocene via matrix isolation

247th National Meeting (2014)

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