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Bis-[cyclic(alkyl)(amino)carbene]-derived diradicals.

Mithilesh Kumar NayakBenedict J ElversSakshi MehtaIvo KrummenacherAbhishake MondalHolger BraunschweigCarola SchulzkePrince RavatAnukul Jana
Published in: Chemical communications (Cambridge, England) (2024)
Crystalline polymeric structures of trans -1,4-cyclohexylene bridged N -tethered bis-CAACs in the form of their LiOTf adducts were synthesized and isolated. These were further used as building blocks for the synthesis of crystalline (amino)(carboxy)-based diradicals. The triplet diradical character of these compounds was unambiguously confirmed by the presence of a half-field signal in their EPR spectra. Theoretical calculations show that the singlet state is marginally more stable than the triplet state.
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