Title of article
The molecular rectifier revisited
Author/Authors
Pickholz، نويسنده , , M.A. Couto dos Santos، نويسنده , , M.C.، نويسنده ,
Issue Information
دوماهنامه با شماره پیاپی سال 1997
Pages
2
From page
1775
To page
1776
Abstract
We present a series of electronic and conformational studies on the push-pull system Z-β-(1-methyl-4-quinolinium)-γ-cyano-4-styryldicyanomethanide, 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.
Keywords
push-pull molecule , Semi-empirical calculations , solvent effects
Journal title
Synthetic Metals
Serial Year
1997
Journal title
Synthetic Metals
Record number
2071147
Link To Document