On the mechanism of [Rh(CO)2Cl]2-catalyzed intermolecular (5 + 2) reactions between vinylcyclopropanes and alkynes |
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| Authors: | Yu Zhi-Xiang Wender Paul A Houk K N |
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| Affiliation: | Department of Chemistry and Biochemistry, University of California, Los Angeles, California 90095-1569, USA. |
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| Abstract: | DFT calculations have been applied to investigate the reaction mechanism of rhodium dimer, [Rh(CO)2Cl]2, catalyzed intermolecular (5 + 2) reactions between vinylcyclopropanes and alkynes. The catalytic species is Rh(CO)Cl and the catalytic cycle is through the sequential reactions of cyclopropyl cleavage of vinylcyclopropane, alkyne insertion (rate-determining step), and a migratory reductive elimination. |
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