Density functional theory study of electronic structure and spectra of tetraoxa[8]circulenes

Article ID	Journal	Published Year	Pages	File Type
5394978	Computational and Theoretical Chemistry	2011	7 Pages	PDF

Abstract

âº Spectra of tetraoxa[8]circulenes are explained on the ground of TD DFT calculations. âº The nature and intensity of observed absorption and fluorescence bands are explained. âº Emission of OLED devices using these materials are modified comparing to the solvents. âº All features are connected with the excited states symmetry of the studied molecules.

Keywords

Electronic absorption spectra Phosphorescence Fluorescence Density functional theory

Related Topics

Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry

Preview

Density functional theory study of electronic structure and spectra of tetraoxa[8]circulenes

Authors

Boris F. Minaev, Gleb V. Baryshnikov, Valentina A. Minaeva,