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Search for improved triplet-state quenchers for fluorescence imaging: a computational framework incorporating excited-state Baird-aromaticity

Ouissam El Bakouri, Matthew A. Johnson, Joshua R. Smith, Avik Kumar Pati, Maxwell I. Martin, Scott C. Blanchard, Henrik Ottosson

2025Chemical Science8 citationsDOIOpen Access PDF

Abstract

Towards the goal of advancing self-healing organic fluorophore technologies, we computationally identify specific 7-membered ring molecules that exhibit much faster triplet relaxation rates than cyclooctatetraene, the current standard in the field.

Topics & Concepts

CyclooctatetraeneFluorophoreFluorescenceExcited stateTriplet stateAromaticityPhotochemistryChemistryState (computer science)Computer scienceMoleculePhysicsAtomic physicsQuantum mechanicsOrganic chemistryAlgorithmSynthesis and Properties of Aromatic CompoundsPhotoreceptor and optogenetics researchAdvanced Chemical Physics Studies
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