ArticleScience advances2024
Near-infrared luminescent open-shell π-conjugated systems with a bright lowest-energy zwitterionic singlet excited state.
Article in Science advances, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.
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Who cites it
8 citing papers in PubMed.
- Accurate energies for ππ* excited statesChemical science · 2026Article
- Intrinsic intermolecular photoinduced charge separation in organic radical semiconductors.Nature materials · 2026Article
- Bright triplet and bright charge-separated singlet excitons in organic diradicals enable optical read-out and writing of spin states.Nature chemistry · 2025Article
- COLUMBUS─An Efficient and General Program Package for Ground and Excited State Computations Including Spin-Orbit Couplings and Dynamics.The journal of physical chemistry. A · 2025Article
- Luminescent Trityl-based Diradicaloids: A Theoretical and Experimental Assessment of Charge-Resonance in Low-Lying Excited States.Chemistry (Weinheim an der Bergstrasse, Germany) · 2025Article
- On the Meaning of De-Excitations in Time-Dependent Density Functional Theory Computations.Journal of computational chemistry · 2025Article
- Enhancing the Optically Detected Magnetic Resonance Signal of Organic Molecular Qubits.ACS central science · 2025Article
- On the photoluminescence in triarylmethyl-centered mono-, di-, and multiradicals.Beilstein journal of organic chemistry · 2025Review
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Authors and funding
17 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Open-shell systems with extensive π-conjugation have fascinating properties due to their narrow bandgaps and spin interactions. In this work, we report neutral open-shell di- and polyradical conjugated materials exhibiting intriguing optical and magnetic properties. Our key design advance is the planarized geometry allowing for greater interaction between adjacent spins. This results in absorption and emission in the near infrared at 803 and 1050 nanometers, respectively, and we demonstrate a unique electronic structure where a bright zwitterionic excited state is the lowest-accessible electronic transition. Electron paramagnetic resonance spectroscopy and superconducting quantum interference device measurements reveal that our materials are open-shell singlets with different degrees of spin interactions, dynamics, and antiferromagnetic properties, which likely contributed to the formation of their emissive zwitterionic singlet excited state and near-infrared emission. In addition, our materials show reversible and stable electrochromic switching with more than 500 cycles, indicating their potential for optoelectronic and electrochemical energy storage applications.
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