Article ID Journal Published Year Pages File Type
5394281 Computational and Theoretical Chemistry 2013 11 Pages PDF
Abstract
► Dioxylate is favored over metallaoxetane in LTcO3 (L = O−, Cl, CH3, OCH3, Cp, NPH3). ► The reactions of TcO4 and TcO3Cp with ethylene do not form epoxides. ► The reactions of LTcO3 (L = Cl, CH3, OCH3, NPH3) form epoxides.
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Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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A density functional theory study of the mechanisms of oxidation of ethylene by technetium oxo complexes
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