Bipolar 1,8-naphthalimides showing high electron mobility and red AIE-active TADF for OLED applications
Naveen Masimukku, Dalius Gudeika, Dmytro Volyniuk, Oleksandr Bezvikonnyi, Ju̅ratė Simokaitienė, V.E. Matulis, Dmitry Lyakhov, Volodymyr Azovskyi, Juozas V. Gražulevičius
Abstract
. DFT calculations of the geometry, electronic structure, absorption and photoluminescence spectra of all compounds were carried out to prove the conclusions drawn from the experiment. The results of the calculations clearly show that the first excited state for all compounds is the intramolecular charge transfer state. Quantitative analysis of the separation degree of electronic density during excitation allows the observed dependence of the blue shift value in the absorption and emission spectra on the increasing polarity of the solvent to be explained.
Topics & Concepts
Intersystem crossingPhenoxazineElectroluminescencePhotoluminescenceOLEDPhotochemistryAcceptorQuantum efficiencyChemistrySinglet stateElectronElectron acceptorMaterials scienceElectron donorOptoelectronicsAtomic physicsPhenothiazineExcited stateOrganic chemistryCondensed matter physicsPhysicsLayer (electronics)CatalysisQuantum mechanicsPharmacologyMedicineOrganic Light-Emitting Diodes ResearchLuminescence and Fluorescent MaterialsOrganic Electronics and Photovoltaics