Density Functional Study of a Helical Organic Cation

Density Functional Study of a Helical Organic Cation

We report on the first stage of our theoretical study of the quino[2,3,4-kl]acridinium,1,13-dimethoxy-5,9-dipropyl-cation. This molecule, involved in the synthesis of novel triazaangulenium dyes of high chemical stability, is a chiral [4]-helicenium. The structure and the IR spectrum of th...

Full description

Bibliographic Details
Main Authors: Delphine Bas, Pierre-Yves Morgantini, Jacques Weber, Tomasz A. Wesolowski
Format: Article
Language:deu
Published: Swiss Chemical Society 2003-04-01
Series:CHIMIA
Subjects:
Basis set
Computational chemistry
Density functional theory
Exchange-correlation functional
Helical cation
Online Access:https://chimia.ch/chimia/article/view/3681

Internet

https://chimia.ch/chimia/article/view/3681

Similar Items