ArticleNature communications2021
Evolution of the electronic structure in open-shell donor-acceptor organic semiconductors.
Article in Nature communications, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 27 papers.
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Who cites it
27 citing papers in PubMed.
- Spin characteristics of organic radicals from a single-molecule junction perspective.Chemical science · 2026Review
- Persistent Halogenated Perylenediimide Organic Radical Anions Orchestrating Three-Photon Energy Conversion and Programmable Molecular Coupling.Chemistry (Weinheim an der Bergstrasse, Germany) · 2026Article
- Flanking-Group Engineering Unlocks Emerging Functionalities in Diketopyrrolopyrrole Semiconductors.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026Review
- Stable Open-Shell Polymers via Precise Introduction of Oxygen Radicals with Quinoidal Resonance on Conjugated Donor-Acceptor Backbones.Macromolecular rapid communications · 2026Article
- Sterically controlled 5-Chemical science · 2026Article
- Radical-to-radical push-pull effect enhances single-molecule conductance in asymmetric diradicals.Chemical science · 2026Article
- Chromatic-Invariant Photothermal Fabrics Enabled by Narrow-Bandgap Organic Semiconductors for Wearable Solar Energy Harvesting.Advanced materials (Deerfield Beach, Fla.) · 2026Article
- Role of π-Spacers and Acceptors in Regulating the Photophysical Properties of BTPA Donor-Based Dyes: First-Principles Approach.The journal of physical chemistry. A · 2025Article
- Stable Ultrabroad-Absorbing Radical Achieves Efficient NIR-II Photothermal Conversion via Facile Synthesis.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2025Article
- Synthesis of zwitterionic open-shell bilayer spironanographenes.Nature chemistry · 2025Article
- NIR-II Emissive Persistent Neutral π-Radical with Rapid Doublet Internal Conversion for Efficient Cancer Photothermal Theranostics.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2025Article
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- Stable Antiaromatic [16]Triphyrin(2.1.1) with Core Modification: Synthesis Using a 16π Electrocyclic Reaction.Chemistry (Weinheim an der Bergstrasse, Germany) · 2024Article
- Resonance-Assisted Self-Doping in Robust Open-Shell Ladder-Type Oligoaniline Analogues.Angewandte Chemie (International ed. in English) · 2024Article
- Open-shell Poly(3,4-dioxythiophene) Radical for Highly Efficient Photothermal Conversion.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2024Article
- Colorless Near-Infrared Absorbing Dyes Based on B-N Fused Donor-Acceptor-Donor π-Conjugated Molecules for Organic Phototransistors.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2024Article
- White-light activatable organic NIR-II luminescence nanomaterials for imaging-guided surgery.Nature communications · 2024Article
- Regulation of quantum spin conversions in a single molecular radical.Nature nanotechnology · 2024Article
- Designing Thiadiazoloquinoxaline-Based Conjugated Polymers for Efficient Organic Photovoltaics: A DFT/TDDFT Study.Molecules (Basel, Switzerland) · 2024Article
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Authors and funding
14 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Most organic semiconductors have closed-shell electronic structures, however, studies have revealed open-shell character emanating from design paradigms such as narrowing the bandgap and controlling the quinoidal-aromatic resonance of the π-system. A fundamental challenge is understanding and identifying the molecular and electronic basis for the transition from a closed- to open-shell electronic structure and connecting the physicochemical properties with (opto)electronic functionality. Here, we report donor-acceptor organic semiconductors comprised of diketopyrrolopyrrole and naphthobisthiadiazole acceptors and various electron-rich donors commonly utilized in constructing high-performance organic semiconductors. Nuclear magnetic resonance, electron spin resonance, magnetic susceptibility measurements, single-crystal X-ray studies, and computational investigations connect the bandgap, π-extension, structural, and electronic features with the emergence of various degrees of diradical character. This work systematically demonstrates the widespread diradical character in the classical donor-acceptor organic semiconductors and provides distinctive insights into their ground state structure-property relationship.
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