Molecular design of benzo[c][1,2,5]thiadiazole or thieno[3,4-d]pyridazine-based auxiliary acceptors through different anchoring groups in D-π-A-A framework: A DFT/TD-DFT study
Lala Adetia Marlina, Winarto Haryadi, Rathawat Daengngern, Harno Dwi Pranowo
Topics & Concepts
RhodanineChemistryDensity functional theoryHOMO/LUMOPorphyrinAbsorption spectroscopyPhotochemistryComputational chemistryMoleculeOrganic chemistryQuantum mechanicsPhysicsPorphyrin and Phthalocyanine ChemistryTiO2 Photocatalysis and Solar CellsConducting polymers and applications