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Pure Appl. Chem., 2008, Vol. 80, No. 3, pp. 507-517

http://dx.doi.org/10.1351/pac200880030507

Oxophenalenoxyl: Novel stable neutral radicals with a unique spin-delocalized nature depending on topological symmetries and redox states

Yasushi Morita1,2, Shinsuke Nishida3, Junya Kawai1, Takeji Takui3 and Kazuhiro Nakasuji1

1 Department of Chemistry, Osaka University, Toyonaka, Osaka 560-0043, Japan
2 PRESTO, Japan Science and Technology Agency, Honcho, Kawaguchi, Saitama 332-0012, Japan
3 Departments of Chemistry and Materials Science, Osaka City University, Sumiyoshi-ku, Osaka 558-8585, Japan

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  • 13. Spin-center transfer induced by an intramolecular electron transfer was occurred in a TTF-substituted 6-oxophenalenoxyl system: S. Nishida, Y. Morita, K. Fukui, K. Sato, D. Shiomi, T. Takui, K. Nakasuji. Angew. Chem., Int. Ed. 44, 7277 (2005). (http://dx.doi.org/10.1002/anie.200502180)
  • 14. 3-Oxophenalenoxyl neutral radical derivatives easily dimerize at the 2-positions, giving the corresponding dimeric compounds, see ref. [9].
  • 15. In our previous studies, spin density distribution was considered in terms of MO-based VB method for both 6-oxophenalenoxyl neutral radical (see ref. [10a]) and the radical dianion of 3oxophenalenoxyl system (see ref. [12]), and in terms of NICS(0) method for 3-, 4-, and 6-oxophenalenoxyl systems (see ref. [9]).
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