INVESTIGADORES
PICKHOLZ Monica Andrea
artículos
Título:
The molecular rectifier revisited
Autor/es:
M.A. PICKHOLZ; M.C. DOS SANTOS
Revista:
SYNTHETIC METALS
Editorial:
Elsevier
Referencias:
Lugar: LAUSANNE, SWITZERLAND ; Año: 1997 vol. 85 p. 1775 - 1776
ISSN:
0379-6779
Resumen:
We present a series of electronic and conformational studies on the push-pull system Z-beta-(1-methyl-4-quinolinium)-gamma-cyano-4-styryldicyanomerhanide, CH3-Q3CNQ based on semi-empirical calculations to assess solvent, external electric field and correlation effects. The ground state conformation obtained is not of zwitterionic type, and a different interpretation of the rectifying behavior of this system is presented.
