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

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Bibliographische Detailangaben
Hauptverfasser: Fuchs, Kathleen (VerfasserIn) , Oberhof, Nils (VerfasserIn) , Sauter, Gabriel (VerfasserIn) , Pollien, Audrey (VerfasserIn) , Brödner, Kerstin (VerfasserIn) , Rominger, Frank (VerfasserIn) , Freudenberg, Jan (VerfasserIn) , Dreuw, Andreas (VerfasserIn) , Tegeder, Petra (VerfasserIn) , Bunz, Uwe H. F. (VerfasserIn)
Dokumenttyp: Article (Journal)
Sprache:Englisch
Veröffentlicht: 27 August 2024
In: Angewandte Chemie. International edition
Year: 2024, Pages: 1-9
ISSN:1521-3773
DOI:10.1002/anie.202406384
Online-Zugang:Verlag, lizenzpflichtig, Volltext: https://doi.org/10.1002/anie.202406384
Verlag, lizenzpflichtig, Volltext: https://onlinelibrary.wiley.com/doi/abs/10.1002/anie.202406384
Volltext
Verfasserangaben:Kathleen Fuchs, Nils Oberhof, Gabriel Sauter, Audrey Pollien, Kerstin Brödner, Frank Rominger, Jan Freudenberg, Andreas Dreuw, Petra Tegeder, and Uwe Heiko Bunz
Beschreibung
Zusammenfassung:Non-Kekulé quinoidal azaacences m-A (1a,b) were synthesized and compared to their para- and ortho-quinodimethane analogues. m-Adisplay high diradical characters (1b: 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.
Beschreibung:Gesehen am 19.09.2024
Beschreibung:Online Resource
ISSN:1521-3773
DOI:10.1002/anie.202406384

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