Dataset for theTriple para-Functionalized Cations and Neutral Radicals of Enan-tiopure Diaza [4]Helicenes

Modulation of absorbance and emission is key for the design of chiral chromophores. For dyes to be of practical value in (chir)optical applications, they must also absorb and/or emit (circularly polarized) light over a wide spectral window, and often toward near infrared. In a series of derivatives bridging triaryl methyl and helicene domains, we have achieved by late-stage functionalization the regioselective triple introduction of para electron-donating or electron-withdrawing substituents. Extended tuning of electronic (e.g., E1/2red –1.50 V → –0.68 V) and optical (e.g., emission covering from 550 to 850 nm) properties is achieved for the cations and neutral radicals; the latter compounds being easily prepared by mono electron reductions under electrochemical or chemical conditions. While luminescence quantum yields can be increased up to 70% in the cationic series, strong Cotton effects are obtained for certain radicals at low energies (λabs ~ 700-900 nm) with gabs values above 10-3. The open-shell electronic nature of the radicals was further characterized by EPR revealing an important spin density delocalization that contributes to their persistence

    Organizational unit
    Laboratory of Professor Jérôme Lacour
    Type
    Dataset
    DOI
    10.26037/yareta:xpcqve5xjzg23clrevo3gxw67m
    License
    Creative Commons Attribution 4.0 International
Publication date24/11/2023
Retention date21/11/2033
accessLevelPublicAccess levelPublic
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licenseContract on the use of data
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Contributors
  • Fabri, Bibiana orcid
  • Funaioli, Tiziana
  • Frédéric, Lucas orcid
  • Elsner, Christina
  • Bordignon, Enrica
  • Zinna, Francesco orcid
  • Di Bari, Lorenzo orcid
  • Pescitelli, Gennaro
  • Lacour, Jérôme orcid
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