Gabriel R. C.  Sampaio

Using time-dependent density functional theory to simulate UV-visible absorption spectra and calculate corrected emission energies of 2,1,3-benzotelluradiazoles

Abstract Luminescent benzochalcogenadiazole liquid crystals have attracted considerable interest owing to their combination of photophysical and mesomorphic properties. These compounds consist of central heterocycles containing oxygen, sulfur or selenium, linked to phenyl groups...