1. Quinoidal Azaacenes: 99 % Diradical Character.
- Author
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Intorp, Sebastian N., Hodecker, Manuel, Müller, Matthias, Tverskoy, Olena, Rosenkranz, Marco, Dmitrieva, Evgenia, Popov, Alexey A., Rominger, Frank, Freudenberg, Jan, Dreuw, Andreas, and Bunz, Uwe H. F.
- Subjects
ELECTRON paramagnetic resonance spectroscopy ,NUCLEAR magnetic resonance spectroscopy ,SINGLET state (Quantum mechanics) ,CHARACTER ,DELAYED fluorescence ,PHOSPHORESCENCE spectroscopy ,SQUIDS - Abstract
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. [ABSTRACT FROM AUTHOR]
- Published
- 2020
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