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Synthesis and structural evaluation of closed-shell folded and open-shell twisted hexabenzo[5.6.7]quinarene.

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We describe the synthesis and characterization of hexabenzo[5.6.7]quinarene, which is composed of an anthraquinodimethane (AQD) central core that is end-capped with fluorenyl and dibenzosuberenyl groups. Due to strong intramolecular spin-spin… Click to show full abstract

We describe the synthesis and characterization of hexabenzo[5.6.7]quinarene, which is composed of an anthraquinodimethane (AQD) central core that is end-capped with fluorenyl and dibenzosuberenyl groups. Due to strong intramolecular spin-spin interaction through the central AQD unit, this compound is obtained as a stable folded form. Isolation of the stable twisted dication by oxidation and reduction of the dication yields a twisted triplet species, which thermally reverts to the folded form. This is a spin-switching system based on a combination of chemical oxidation/reduction and thermal stimulation.

Keywords: structural evaluation; evaluation closed; synthesis structural; closed shell; hexabenzo quinarene; shell

Journal Title: Chemical communications
Year Published: 2023

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