Azaacene diradicals based on Non-Kekulé meta-quinodimethane with large two-photon cross-sections in the infrared spectral region
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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| Hauptverfasser: | , , , , , , , , , |
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| Dokumenttyp: | Article (Journal) |
| Sprache: | Englisch |
| Veröffentlicht: |
27 August 2024
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| 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 
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| Verfasserangaben: | Kathleen Fuchs, Nils Oberhof, Gabriel Sauter, Audrey Pollien, Kerstin Brödner, Frank Rominger, Jan Freudenberg, Andreas Dreuw, Petra Tegeder, and Uwe Heiko Bunz |
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| 245 | 1 | 0 | |a Azaacene diradicals based on Non-Kekulé meta-quinodimethane with large two-photon cross-sections in the infrared spectral region |c Kathleen Fuchs, Nils Oberhof, Gabriel Sauter, Audrey Pollien, Kerstin Brödner, Frank Rominger, Jan Freudenberg, Andreas Dreuw, Petra Tegeder, and Uwe Heiko Bunz |
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| 520 | |a 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. | ||
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| 650 | 4 | |a azaacene | |
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| 650 | 4 | |a non-Kekulé diradical | |
| 650 | 4 | |a Two-photon absorption | |
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| 787 | 0 | 8 | |i Forschungsdaten |a Fuchs, Kathleen, 1994 - |t Azaacene diradicals based on Non-Kekulé meta-quinodimethane with large two-photon cross-sections in the infrared spectral region [data] |d Heidelberg : Universität, 2024 |h 1 Online-Ressource (8 Files) |w (DE-627)190299177X |
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