Abstract
The influence of isomeric conformation and substituent on the luminescent properties of two series of linear benzofuran trimers are studied. The structures, ionization potentials (IPs), electron affinities (EAs), and HOMO–LUMO gaps (ΔH–L) of the trimers are studied by the density functional theory with B3LYP functional. The calculation of the lowest excitation energies (Egs) and the maximal absorption wavelength λabs of trimers are performed employing time dependent density functional theory (TDDFT) and semi-empirical level ZINDO.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
