Advanced Optical Materials, EarlyView.An organic–inorganic mixed excited state is designed and demonstrated by combining the metal–metal and π–π interactions within a supramolecular Pt2–pyrene assembly. Directional orbital overlap between the Pt and carbon atoms gives rise to a long‐lived triplet emission, strong emission polarization, exciton–exciton annihilation, and efficient exciton ...
Ying Luo +7 more
wiley +1 more source
Sequential Ag doping of Au25 - atomically precise nanoclusters induces alternating positive and negative shifts of the HOMO-LUMO gap. [PDF]
Chem SciFagan JW +5 more
europepmc +1 more source
PES, molecular structure, spectroscopic (FT-IR, FT-Raman), electronic (UV-Vis, HOMO-LUMO), quantum chemical and biological (docking) studies on a potent membrane permeable inhibitor: dibenzoxepine derivative. [PDF]
Heliyon, 2020 Sevvanthi S +4 more
europepmc +1 more source
Advanced Optical Materials, EarlyView.A coherent phthalimide acceptor platform with planar (Cz—carbazole) and spiro‐type (SAF—spiroacridine fluorene) donors enables systematic tuning of donor geometry and coupling, driving the evolution of excited‐state topology from classical CT‐TADF and fluorescence/RTP to CT‐driven and LE‐assisted TADF with OLED efficiencies ≈ 36%.
Christopher Anton Wallerius +8 more
wiley +1 more source
Accurate Prediction of HOMO-LUMO Gap Using DFT Functional and Application to Next-Generation Organic Telluro[n]Helicenes Materials. [PDF]
J Comput ChemKumar R, Kar R, Maity DK.
europepmc +1 more source
Intramolecular FRET Cascades Enable Small Efficiency Roll‐Off in Solution‐Processed OLEDs
Advanced Optical Materials, EarlyView.This work highlights how an intramolecular FRET design strategy in solution‐processable MR‐TADF emitters enables narrowband emission, high PLQY, and efficient exciton harvesting. The resulting hyperfluorescent solution‐processed OLEDs reach up to 20.7% EQEmax with minimal efficiency roll‐off even at 10 000 cd m−2, demonstrating strong potential for ...
Mahni Fatahi +4 more
wiley +1 more source
The HOMO-LUMO Gap as Discriminator of Biotic from Abiotic Chemistries. [PDF]
Life (Basel)Abrosimov R, Moosmann B.
europepmc +1 more source
Advanced Science, EarlyView.Nuclear metabolism oscillates during cell cycle progression. Quantitative chromatome proteomics and imaging reveal phase‐specific dynamics of PIP5K1A and nuclear PIP2, linking phosphatidylinositol metabolism to histone methylation. This work identifies nuclear lipid metabolism as a previously unrecognized regulatory axis coordinating chromatin ...
Antoni Gañez‐Zapater +13 more
wiley +1 more source
Effect of Molecular Structure on the B3LYP-Computed HOMO-LUMO Gap: A Structure -Property Relationship Using Atomic Signatures. [PDF]
ACS OmegaMohamed A +3 more
europepmc +1 more source
Trans Influence and Substituent Effects on the HOMO-LUMO Energy Gap and Stokes Shift in Ru Mono-Diimine Derivatives. [PDF]
J Mol Struct, 2019 AlAbbad S +6 more
europepmc +1 more source