Journal
JOURNAL OF ORGANIC CHEMISTRY
Volume 71, Issue 5, Pages 1755-1760Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jo051521d
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The oxidation of C-H and C-C bonds by metal-oxo compounds is of general interest. We studied the RuO4-mediated catalytic oxidation of several cycloalkanes such as adamantane and cis- and trans-decalin as well as methane. B3LYP/6-31G(d) calculations on the experimentally proposed (3+2) mechanism are in good agreement with known experimental results. Comparison of experimental and theoretical kinetic isotope effects confirms the proposed mechanism. Besides RUO4, we also looked at RUO4(OH)(-) as a potential active species to account for ruthenium tetraoxide oxidations under strong basic conditions.
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