Reversible Interconversion between a Carbon–Carbon Double Bond and Diradical beyond External Stimulus

The reversible interconversion between a carbon-carbon double bond and a diradical species represents a fundamental challenge in organic chemistry, with implications for molecular design and electronic materials. While steric strain and external stimulus can induce partial twisting of a carbon-carbon double bond, achieving stable diradical states through controlled, reversible bond twisting remains a significant challenge. Here, we report a strategy in which Lewis acid coordination enables the controlled twisting of C═C bonds to form diradical species with torsional angles of over 70°. Through coordination of Al(OR<sub>F</sub>)<sub>3</sub> (R<sub>F</sub> = C(CF<sub>3</sub>)<sub>3</sub>) or SiEt<sub>3</sub><sup>+</sup> to bianthrone derivatives, we isolate twisted adducts characterized by X-ray crystallography, EPR spectroscopy, and magnetic studies. The process is reversible─competitive displacement of Lewis acids by CH<sub>3</sub>CN restores folded alkenes, as monitored by UV-vis and NMR spectroscopy. This work provides a strategy for manipulating carbon-carbon double-bond topology with potential applications in reversibly responsive molecular systems.

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Publication Details

Journal
Journal of the American Chemical Society
Published
2025-12-24
DOI
https://doi.org/10.1021/jacs.5c18532
Primary Topic
Synthesis and Properties of Aromatic Compounds
Type
article
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article

Reversible Interconversion between a Carbon–Carbon Double Bond and Diradical beyond External Stimulus

Liancheng He, Xinping Wang, Runbo Pei, Junyu Huang
Journal of the American Chemical Society
Synthesis and Properties of Aromatic Compounds
article

Reversible Interconversion between a Carbon–Carbon Double Bond and Diradical beyond External Stimulus

Liancheng He, Xinping Wang, Runbo Pei, Junyu Huang
article en

Abstract

The reversible interconversion between a carbon-carbon double bond and a diradical species represents a fundamental challenge in organic chemistry, with implications for molecular design and electronic materials. While steric strain and external stimulus can induce partial twisting of a carbon-carbon double bond, achieving stable diradical states through controlled, reversible bond twisting remains a significant challenge. Here, we report a strategy in which Lewis acid coordination enables the controlled twisting of C═C bonds to form diradical species with torsional angles of over 70°. Through coordination of Al(OR<sub>F</sub>)<sub>3</sub> (R<sub>F</sub> = C(CF<sub>3</sub>)<sub>3</sub>) or SiEt<sub>3</sub><sup>+</sup> to bianthrone derivatives, we isolate twisted adducts characterized by X-ray crystallography, EPR spectroscopy, and magnetic studies. The process is reversible─competitive displacement of Lewis acids by CH<sub>3</sub>CN restores folded alkenes, as monitored by UV-vis and NMR spectroscopy. This work provides a strategy for manipulating carbon-carbon double-bond topology with potential applications in reversibly responsive molecular systems.

Journal of the American Chemical SocietyVol. 148(1)
Chinese Academy of Sciences (CN), Shanghai Institute of Organic Chemistry (CN), Nanjing University (CN)
Life in Land
Openalex Percentile: Top 33%
Synthesis and Properties of Aromatic Compounds
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