Article ID Journal Published Year Pages File Type
5394435 Computational and Theoretical Chemistry 2012 9 Pages PDF
Abstract
► The major and minor reaction channels lead to PtC2H4 + H2 and PtCH2 + CH4, respectively. ► For the formation of PtCH2 + CH4, the optimal pathway proceeds through the σ-complex cis-HPtC2H5. ► These results are in reasonable agreement with experimental observation in Pt + C2H6 system.
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Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Activation of C-H and C-C bonds of ethane by gas-phase Pt atom: Potential energy surface and reaction mechanism
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