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DFT studies on rhodium(Ш)-catalyzed alkenylation of 8-methyquinolines show that the activation of C(sp 3 )–H bond of 8-methylquinoline prefers to undergo four-membered ring process with free energy barrier of 29.8 kcal/mol, rather than six-membered ring process because of the electron-delocalized effect of oxygen atom to Rh center. The diphenylacetylene coordinates into the Rh center of the...
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