Nature of Intermediates in Organo-SOMO Catalysis of α-Arylation of Aldehydes.

The intramolecular α-arylation of aldehydes via organo-SOMO catalysis was investigated using density functional theory (B3LYP and M06-2X functionals). The geometries, spin densities, Mulliken charges, and molecular orbitals of the reacting enamine radical cations were analyzed, and the nature of the...

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Publicado en:	Journal of the American Chemical Society Vol. 132; no. 17; pp. 6001 - 6006
Autores principales:	Urn, Joann M., Gutierrez, Osvaldo, Schoenebeck, Franziska, Houk, K. N., MacMillan, David W. C.
Formato:	Artículo
Publicado:	American Chemical Society 5/5/2010
Materias:	Intermediates (Chemistry) Catalysis Molecular orbitals Arylation Aldehydes Density functionals Cations
Acceso en línea:	Ver este registro en EBSCOhost