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Quinoidal azaacenes: 99 % diradical character

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Quinoidal azaacenes with almost pure diradical character (y=0.95 to y=0.99) were synthesized. All compounds exhibit paramagnetic behavior investigated by EPR and NMR spectroscopy, and SQUID measurements, revealing thermally populated triplet states with an extremely low-energy gap ΔEST′ of 0.58 to 1...

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Main Authors: Intorp, Sebastian (Author) , Hodecker, Manuel (Author) , Müller, Matthias (Author) , Tverskoy, Olena (Author) , Rosenkranz, Marco (Author) , Dmitrieva, Evgenia (Author) , Popov, Alexey A. (Author) , Rominger, Frank (Author) , Freudenberg, Jan (Author) , Dreuw, Andreas (Author) , Bunz, Uwe H. F. (Author)
Format: Article (Journal)
Language:English
Published: 19 March 2020
In: Angewandte Chemie
Year: 2020, Volume: 59, Issue: 30, Pages: 12496-12501
ISSN:1521-3757
DOI:10.1002/ange.201915977
Online Access:Verlag, kostenfrei, Volltext: https://doi.org/10.1002/ange.201915977
Verlag, kostenfrei, Volltext: https://onlinelibrary.wiley.com/doi/abs/10.1002/ange.201915977
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Author Notes:Sebastian N. Intorp, Manuel Hodecker, Matthias Müller, Olena Tverskoy, Marco Rosenkranz, Evgenia Dmitrieva, Alexey A. Popov, Frank Rominger, Jan Freudenberg, Andreas Dreuw, and Uwe H.F. Bunz
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Summary:Quinoidal azaacenes with almost pure diradical character (y=0.95 to y=0.99) were synthesized. All compounds exhibit paramagnetic behavior investigated by EPR and NMR spectroscopy, and SQUID measurements, revealing thermally populated triplet states with an extremely low-energy gap ΔEST′ of 0.58 to 1.0 kcal mol−1. The species are persistent in solution (half-life≈14-21 h) and in the solid state they are stable for weeks.
Item Description:Version of record online: April 28, 2020
Gesehen am 12.11.2021
Physical Description:Online Resource
ISSN:1521-3757
DOI:10.1002/ange.201915977

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