ArticleAngewandte Chemie (International ed. in English)2026
Hidden Diradical: Conformational Switch for Solvatochromic NIR Emission With Unity Quantum Yield in Thiele's Hydrocarbon.
Article in Angewandte Chemie (International ed. in English), 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
We present that halogen-substituted and air-stable Thiele-type diradicaloids with folded (1) and planar (2, 3) structures can be obtained by switching the positions of fluorine and chlorine substituents. The strongly distorted p-quinodimethane 1 demonstrates emission in the UV-visible/near-infrared (UV-vis/NIR) range with a photoluminescence quantum yield (PLQY) of 100%, an exceedingly large Stokes shift of up to 2.0 eV, an excited state lifetime of 81 ns, and pronounced solvatochromic emission (from 1.81 eV in n-pentane to approximately 2.0 eV in dichloromethane). Dual emission in pentane, transient absorption spectroscopy, quantum chemical calculations, as well as the comparison with compounds 2 and 3 reveal that the exceptional photophysical properties of closed-shell 1 are thanks to interconversion with its planar conformer 1
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