Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
177140 | Dyes and Pigments | 2011 | 6 Pages |
Abstract
The push–pull behaviour of novel 2-(1,1-dicyanomethylene)rhodanines bearing an electron donor N,N-dimethylaniline or tetrathiafulvalene group on the C-5 of the heterocyclic ring was studied using experimental (electrochemical and spectroscopical analysis) and theoretical (DFT/B3LYP/631G∗∗) methods. Calculations showed a remarkable push–pull trend with the HOMO mainly located on the donor moiety and the LUMO on the acceptor dicyanomethylene moiety. In agreement with the theoretical predictions, a solvatochromic, behavior intramolecular charge transfer band was observed in the visible region.
Related Topics
Physical Sciences and Engineering
Chemical Engineering
Chemical Engineering (General)
Authors
Alberto Insuasty, Alejandro Ortiz, Alexis Tigreros, Efrain Solarte, Braulio Insuasty, Nazario Martín,