Competitive carbon and oxygen kinetic isotope effects on CO2 reduction and water oxidation reactions initiated by transition metal complexes are examined here as a means to formulate and discriminate among reaction mechanisms. The findings reported here show how density functional theory calculations when performed in tandem with heavy atom isotope effect determinations can constrain mechanisms of catalytic carbon dioxide reduction and water oxidation reactions.<br/>

Differences in carbon and oxygen isotope discrimination during the catalytic activation of small molecules

254th National Meeting (2017)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.