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Azaacene diradicals based on non-kekulé meta-quinodimethane with large two-photon cross-sections in the infrared spectral region

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Non-Kekulé quinoidal azaacences m-A (1 a,b) were synthesized and compared to their para- and ortho-quinodimethane analogues. m-A display high diradical characters (1 b: y0 = 0.88) due to their meta-quinodimethane (m-QDM) topology. Electron paramagnetic, nuclear magnetic resonance spectroscopies and...

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Main Authors: Fuchs, Kathleen (Author) , Oberhof, Nils (Author) , Sauter, Gabriel (Author) , Pollien, Audrey (Author) , Brödner, Kerstin (Author) , Rominger, Frank (Author) , Freudenberg, Jan (Author) , Dreuw, Andreas (Author) , Tegeder, Petra (Author) , Bunz, Uwe H. F. (Author)
Format: Article (Journal)
Language:English
Published: November 25, 2024
In: Angewandte Chemie. International edition
Year: 2024, Volume: 63, Issue: 48, Pages: 1-7
ISSN:1521-3773
DOI:10.1002/anie.202406384
Online Access:Verlag, kostenfrei, Volltext: https://doi.org/10.1002/anie.202406384
Verlag, kostenfrei, Volltext: https://onlinelibrary.wiley.com/doi/abs/10.1002/anie.202406384
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Author Notes:Kathleen Fuchs, Nils Oberhof, Gabriel Sauter, Audrey Pollien, Kerstin Brödner, Frank Rominger, Jan Freudenberg, Andreas Dreuw, Petra Tegeder, and Uwe H.F. Bunz
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Summary:Non-Kekulé quinoidal azaacences m-A (1 a,b) were synthesized and compared to their para- and ortho-quinodimethane analogues. m-A display high diradical characters (1 b: y0 = 0.88) due to their meta-quinodimethane (m-QDM) topology. Electron paramagnetic, nuclear magnetic resonance spectroscopies and supraquantum interference device measurements in combination with quantum-chemical calculations revealed singlet ground states for m-A with singlet-triplet gaps ΔEST (0.13-0.25 kcal mol−1) and thermally populated triplet states. These non-Kekulé structures are over all void of zwitterionic character and possess record high two-photon absorption cross sections over a broad spectral range in the near-infrared.
Item Description:Online veroffentlicht: 27 August 2024
Gesehen am 31.03.2025
Physical Description:Online Resource
ISSN:1521-3773
DOI:10.1002/anie.202406384

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