Solution-synthesized stable triaza[4]triangulene triradical with a quartet ground state

As a renowned class of open-shell molecules characterized by triangular nanographenic structures and novel magnetic properties with high-spin ground states, triangulenes are attractive targets to both synthetic chemists and molecular magnet researchers. Here, a highly stable aza-derivative of [4]triangulene triradical (1) is achieved, with a quartet ground state (S = 3/2). By virtue of the stability under ambient conditions (τ<sub>1/2</sub> ~ 9 days in the solid state and 28 h in an air-saturated solution), thorough structural and magnetic characterizations are performed. Crystallographic analysis confirms that 1 has a planar triangular polycyclic aromatic skeleton embedded with delocalized spins. Concurrently, continuous-wave and pulsed EPR spectroscopies provide unambiguous evidence supporting its high-spin ground state. SQUID measurements reveal impressively large doublet-quartet energy gap (ΔE<sub>D-Q</sub> = 3.18 kcal/mol), indicating very strong intramolecular ferromagnetic spin-spin exchanges (J/k<sub>B</sub> = +534 K) rendered by the triangulene structure.

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Publication Details

Journal
Nature Communications
Published
2026-02-03
DOI
https://doi.org/10.1038/s41467-026-69048-1
Primary Topic
Synthesis and Properties of Aromatic Compounds
Type
article
Field-Weighted Citation Impact
0.00

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article

Solution-synthesized stable triaza[4]triangulene triradical with a quartet ground state

Xudong Bai, Yanning Cheng, Yihan Wang, Shang-Da Jiang et al.
Nature Communications
Synthesis and Properties of Aromatic Compounds
article

Solution-synthesized stable triaza[4]triangulene triradical with a quartet ground state

Xudong Bai, Yanning Cheng, Yihan Wang, Shang-Da Jiang, Yi Xie, Yushuang Zhang, Dahui Zhao, Di Zhang, Ziqi Zhu
article en

Abstract

As a renowned class of open-shell molecules characterized by triangular nanographenic structures and novel magnetic properties with high-spin ground states, triangulenes are attractive targets to both synthetic chemists and molecular magnet researchers. Here, a highly stable aza-derivative of [4]triangulene triradical (1) is achieved, with a quartet ground state (S = 3/2). By virtue of the stability under ambient conditions (τ<sub>1/2</sub> ~ 9 days in the solid state and 28 h in an air-saturated solution), thorough structural and magnetic characterizations are performed. Crystallographic analysis confirms that 1 has a planar triangular polycyclic aromatic skeleton embedded with delocalized spins. Concurrently, continuous-wave and pulsed EPR spectroscopies provide unambiguous evidence supporting its high-spin ground state. SQUID measurements reveal impressively large doublet-quartet energy gap (ΔE<sub>D-Q</sub> = 3.18 kcal/mol), indicating very strong intramolecular ferromagnetic spin-spin exchanges (J/k<sub>B</sub> = +534 K) rendered by the triangulene structure.

Nature CommunicationsVol. 17(1)
Hong Kong Science and Technology Parks Corporation (HK), Institute of Molecular Functional Materials (CN), Beijing National Laboratory for Molecular Sciences (CN), South China University of Technology (CN)
National Natural Science Foundation of China, Peking University, Fundamental Research Funds for the Central Universities, Beijing National Laboratory for Molecular Sciences
Openalex Percentile: Top 68%
Synthesis and Properties of Aromatic Compounds
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Solution-synthesized stable triaza[4]triangulene triradical with a quartet ground state — Xudong Bai, Yanning Cheng, et al. · Nature Communications (2026) | TGRS Research Map | TGRS