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Ion pairs as intermediates in substitutions of benzilic substrates. A scrf study including solvent effects

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1986
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Contreras Ramos, Renato
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Ion pairs as intermediates in substitutions of benzilic substrates. A scrf study including solvent effects
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Author
  • Contreras Ramos, Renato;
  • Gómez Jeria, Juan;
Abstract
Self Consistent Reaction Field (SCRF) ealculations, including dielectric solvent effects, have been performed to analyze the relative stabilities of the different chernical species found in substitution reactions involving benzilic substrates. The results obtained using the SCRF model, implemented within the SCF - CNDO/2 approach, show that the major part of the solvent stabilization manifests itself during dissociation rather than the formation of ion pairs structures present as intermediate states.
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This work has received financial support from the University of Chile (D1B Projects Q2001 and Q1759) and from Fondo Nacional de Ciencia (Projects 5031 and 1075).
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URI: https://repositorio.uchile.cl/handle/2250/119341
ISSN: 0716 - 0402
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Acta sud Americana de Química, VoI.6, 1986
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