A DFT Study of the Thermal, Orbital Symmetry Forbidden, Cyclophanediene to Dihydropyrene Electrocyclic Reaction. Predictions to Improve the Dimethyldihydropyrene Photoswitches.

The orbital symmetry forbidden thermal electrocyclic equilibria between a series of cyclophanedienes and dimethyldihydropyrenes (CPDs→←DDPs) were studied using density functional theory (DFT). These reactions are important not only because of their fundamental interest but also in how they restrict...

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Publicado en:	Journal of the American Chemical Society Vol. 127; no. 46; pp. 16207 - 16215
Autores principales:	Williams, Richard Vaughan, Edwards, W. Daniel, Mitchell, Reginald H., Robinsont, Stephen G.
Formato:	Artículo
Publicado:	American Chemical Society 11/23/2005
Materias:	Density functionals Conservation of orbital symmetry Cyclophanes Pyrene Symmetry (Physics) Conformational analysis Methyl groups
Acceso en línea:	Ver este registro en EBSCOhost