A bowl-shaped ortho-semiquinone radical anion: Quantitative evaluation of the dynamic behavior of structural and electronic features

Angewandte Chemie - International Edition

Volumn 49, Issue 36, 2010, Pages 6333-6337

  Ueda, Akira ^a   Ogasawara, Kanako ^a   Nishida, Shinsuke ^b   Ise, Tomoaki ^b   Yoshino, Tomohiro ^b   Nakazawa, Shigeaki ^b   Sato, Kazunobu ^b   Takui, Takeji ^b   Nakasuji, Kazuhiro ^a   Morita, Yasushi ^a  

^a OSAKA UNIVERSITY   (Japan)

^b Osaka Prefecture University   (Japan)

Author keywords

Corannulenes; EPR spectroscopy; Ion pairs; Radical ions; Semiquinone

Indexed keywords

CORANNULENES; EPR SPECTROSCOPY; ION PAIRS; RADICAL IONS; SEMIQUINONES;

ELECTRON SPIN RESONANCE SPECTROSCOPY; PARAMAGNETIC RESONANCE; THREE DIMENSIONAL;

IONS;

BENZOQUINONE DERIVATIVE; CORANNULENE; POLYCYCLIC AROMATIC HYDROCARBON; SEMIQUINONE RADICALS; SODIUM;

ARTICLE; CHEMISTRY; ELECTRON SPIN RESONANCE; OXIDATION REDUCTION REACTION; SYNTHESIS;

BENZOQUINONES; ELECTRON SPIN RESONANCE SPECTROSCOPY; OXIDATION-REDUCTION; POLYCYCLIC HYDROCARBONS, AROMATIC; SODIUM;

EID: 77956034934     PISSN: 14337851     EISSN: 15213773     Source Type: Journal    
DOI: 10.1002/anie.201002626     Document Type: Article

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77. We have calculated the bowl-inversion energy barrier of the corannulene-based semiquinone radicals with different curvature using the Siegel equation (T. J. Seiders, K. K. Baldridge, G. H. Grube, J. S. Siegel, J. Am. Chem. Soc. 2001, 123, 517-525; see the Supporting Information). For further investigation of the inversion from the experimental side, variable-temperature NMRspectroscopy measurements and pulsed ESR spectroscopy for the direct observation of the dynamic molecular and electronic-spin structures are underway.