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- W2065177781 abstract "Palladation of methylenecyclopropane and [3 + 2] cycloaddition with alkenes have been studied theoretically. In palladium complexes of methylenecyclopropane or trimethylenemethane, the eta 2 forms have been shown to be more stable than the palladacyclobutane forms. However, the barrier heights to yield palladacyclobutanes are not very high and the methylene-bridged carbon can be converted to the metal-attached carbon on palladium via a ring-opened transition state, allowing the scrambling of hydrogens in methylenecyclopropane. With respect to the palladium-catalyzed [3 + 2] cycloaddition reaction of methylenecyclopropane with alkenes, the path via palladacyclobutanes has been demonstrated to be more favorable than the path via an eta 2 complex. These results are discussed by using the paired interaction orbital scheme." @default.
- W2065177781 created "2016-06-24" @default.
- W2065177781 creator A5003600234 @default.
- W2065177781 creator A5051131902 @default.
- W2065177781 date "2000-03-01" @default.
- W2065177781 modified "2023-09-27" @default.
- W2065177781 title "Theoretical Study of the Mechanisms of Palladation of Methylenecyclopropane and [3 + 2] Cycloadditions" @default.
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- W2065177781 doi "https://doi.org/10.1021/ic991093s" @default.
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