TY - JOUR
T1 - Perylene Bisimide Radicals and Biradicals
T2 - Synthesis and Molecular Properties
AU - Schmidt, David
AU - Son, Minjung
AU - Lim, Jong Min
AU - Lin, Mei Jin
AU - Krummenacher, Ivo
AU - Braunschweig, Holger
AU - Kim, Dongho
AU - Würthner, Frank
N1 - Publisher Copyright:
© 2015 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
PY - 2015/11/16
Y1 - 2015/11/16
N2 - Unprecedented neutral perylene-3,4:9,10-tetracarboxylic acid bisimide (PBI) radicals and biradicals were synthesized by facile chemical oxidation of 4-hydroxyaryl-substituted PBIs. Subsequent characterization by optical and magnetic spectroscopic techniques, as well as quantum chemical calculations, revealed an open-shell singlet biradical ground state for the PBI biradical OS-2. (〈2〉=1.2191) with a relatively small singlet-triplet energy gap of 0.041 eV and a large singlet biradical character of y=0.72.
AB - Unprecedented neutral perylene-3,4:9,10-tetracarboxylic acid bisimide (PBI) radicals and biradicals were synthesized by facile chemical oxidation of 4-hydroxyaryl-substituted PBIs. Subsequent characterization by optical and magnetic spectroscopic techniques, as well as quantum chemical calculations, revealed an open-shell singlet biradical ground state for the PBI biradical OS-2. (〈2〉=1.2191) with a relatively small singlet-triplet energy gap of 0.041 eV and a large singlet biradical character of y=0.72.
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U2 - 10.1002/anie.201507039
DO - 10.1002/anie.201507039
M3 - Article
AN - SCOPUS:84955211873
SN - 1433-7851
VL - 54
SP - 13980
EP - 13984
JO - Angewandte Chemie - International Edition
JF - Angewandte Chemie - International Edition
IS - 47
ER -