THE MOLECULAR RECTIFIER REVISITED

Authors
PICKHOLZ MA DOSSANTOS MC
Citation
Ma. Pickholz et Mc. Dossantos, THE MOLECULAR RECTIFIER REVISITED, Synthetic metals, 85(1-3), 1997, pp. 1775-1776
Citations number
8
Categorie Soggetti
Physics, Condensed Matter","Material Science","Polymer Sciences
Journal title
Synthetic metals → ACNP
ISSN journal
03796779
Volume
85
Issue
1-3
Year of publication
1997
Pages
1775 - 1776
Database
ISI
SICI code
0379-6779(1997)85:1-3<1775:TMRR>2.0.ZU;2-K
Abstract
We present a series of electronic and conformational studies on the pu sh-pull system 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.