Science and Technology Production
Article
Authorship
PICKHOLZ, MONICA ANDREA
;
M.C. dos Santos
Date
1997
Publishing House and Editing Place
Elsevier
Magazine
SYNTHETIC METALS,
vol. 85
(pp. 1775-1776)
Elsevier
Summary
Information provided by the agent in
SIGEVA
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.