Departamento de Química Física y Analítica, Laboratorio de Química Computacional, Facultad de Química, Universidad de Oviedo, Julián Clavería 8, 33006 Oviedo, Spain
Prof. Dr. Jose A. Sordo
Departamento de Química Física y Analítica, Laboratorio de Química Computacional, Facultad de Química, Universidad de Oviedo, Julián Clavería 8, 33006 Oviedo, Spain
A new mechanism for the formation of doped polyaniline is presented. Besides providing suitable structural and spectroscopic parameters, the new mechanism allows for the rationalization of the experimentally observed equilibrium between polaron and bipolaron defects in emeraldine salt. The magnetic behavior and the “metallic island” model for conduction in doped polyaniline are also theoretically supported by the new proposal.
The endo/exo selectivity in Diels–Alder reactions is analyzed in terms of the pre-reactive van der Waals complexes located on the potential energy surface.
The organic carbamates and carbonates are highly desirable compounds that have found a wide range of applications in drug design, medicinal chemistry, material science, and the polymer industry. The development of new catalytic carbonate and carbamate forming reactions, which employ carbon dioxide as a cheap, green, abundant, and easily available reagent, would thus represent an ideal substitution for existing methods. In this review, the advancements in the catalytic conversion of allylic and propargylic alcohols and amines to corresponding five-membered cyclic carbonates and carbamates are summarized. Both the metal- and the organocatalyzed methods are reviewed, as well as the proposed mechanisms and key intermediates of the illustrated carbonate and carbamate forming reactions.
15 December 2007 in The Journal of Physical Chemistry B