Luminescent Trityl-based Diradicaloids: A Theoretical and Experimental Assessment of Charge-Resonance in Low-Lying Excited States.

ABSTRACT: The tris(2,4,6-trichlorophenyl)methyl radical (TTM) has inspired the synthesis of several luminescent diradicaloids, providing an extraordinary opportunity to control the nature of the low-lying excited states by fine-tuning the diradical character. However, the photophysical properties of TTM-derived diradicals remain not fully understood yet. Here we present a combined theoretical and experimental investigation to elucidate the origin of their luminescence. The theoretical analysis explores a series of symmetric TTM-derived diradicals with singlet ground state and increasingly longer π-conjugated spacers between radical moieties, focussing on the nature of the lowest excited electronic states governing their photophysics. The study is complemented by a complete spectroscopic characteriza

SUBMITTER: Mesto D 

PROVIDER: S-EPMC12015404 | biostudies-literature | 2025 Apr

REPOSITORIES: biostudies-literature