An attempt at interpreting competitive Friedel-Crafts reactions : Role of solvation energy |
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| Authors: | C Decoret J Royer O Chalvet |
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| Institution: | S.R.M.O.A. et L.S.L., Université Claude Bernard, 43 Bd du 11 Novembre 1918, 69621 Villeurbanne, France;Laboratoire de Synthèse Organique, E.S.C.I.L., Université Claude Bernard, 43 Bd du 11 Novembre 1918, 69621 Villeurbanne, France;Centre de Mécanique Ondulatoire Appliquée, 23 rue du Maroc, 75019 Paris, France |
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| Abstract: | Results of Olah et al. on benzylation of benzene and toluene are studied theoretically. The evolution of intermolecular kT/kB and intramolecular o/2p selectivities is interpreted with the aid of a model involving electron affinities of electrophilic entities. Our electrophilic affinities are calculated taking solvation into account, which reverses the order of affinities computed on the naked cations. |
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