Reactivity and Selectivity in the Wittig Reaction: A Computational Study.

The salt-free Wittig reaction of non-, semi-, and stabilized ylides has been investigated on realistic systems using density functional theory (DFT) calculations, including continuum solvation. Our results provide unequivocal support for the generally accepted mechanism and are in very good agreemen...

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Publicado en:	Journal of the American Chemical Society Vol. 128; no. 7; pp. 2394 - 2410
Autores principales:	Robiette, Raphaël, Richardson, Jeffery, Aggarwal, Varinder K., Harvey, Jeremy N.
Formato:	Artículo
Publicado:	American Chemical Society 2/22/2006
Materias:	Wittig reaction Density functionals Feasibility studies Nonmetals Chemical reactions Solution (Chemistry)
Acceso en línea:	Ver este registro en EBSCOhost