Stable Ultrabroad-Absorbing Radical Achieves Efficient NIR-II Photothermal Conversion via Facile Synthesis.

ABSTRACT: Inspired by the electron-withdrawing ability of nitroxide radicals, a novel open-shell material, EDOT-TPAO₄ is reported, synthesized via one-step demethylation and oxidation of its closed-shell precursor, EDOT-TPAOMe₄. Time-dependent density functional theory calculations confirm an acceptor-donor-acceptor configuration of EDOT-TPAO₄ where radical termini act as electron acceptors. This structural transformation narrows the optical bandgap from 2.74 eV of EDOT-TPAOMe₄ to 1.26 eV of EDOT-TPAO₄ and endows EDOT-TPAO₄ high electrical conductivity of 0.02 S cm^-1 and unexpected electrochemical stability in air. The reduced bandgap enables ultrabroad absorption in powder (300-2500 nm), driving exceptional photothermal co

SUBMITTER: Zhang H 

PROVIDER: S-EPMC12631838 | biostudies-literature | 2025 Nov

REPOSITORIES: biostudies-literature