A Fine Line Separates Carbocations from Diradical Ions in Donor-Unconjugated Cations.

Carbocations are traditionally thought to be closedshell electrophiles featuring an empty orbital rich in p character. Here, density functional theory computations indicate that when strong π donors are not placed in direct conjugation with benzylictype cations, alternative diradical configurations...

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Publicado en:	Journal of the American Chemical Society Vol. 137; no. 9; pp. 3402 - 3411
Autores principales:	Albright, Toshia R., Winter, Arthur H.
Formato:	Artículo
Publicado:	American Chemical Society 3/11/2015
Materias:	Ions Biradicals Carbocations Non-Kekule molecules Density functional theory Intermediates (Chemistry)
Acceso en línea:	Ver este registro en EBSCOhost