title: Redox-based spin diversity in a 6-oxophenalenoxyl system: generation, ESR/ENDOR/TRIPLE, and theoretical studies of 2,5,8-tri-tert-butylphenalenyl- 1,6-bis(olate) salts.
abstract: [reaction: see text] Novel open-shell molecular salts, 2,5,8-tri-tert-butylphenalenyl-1,6-bis(olate) salts, were designed on the basis of the 6-oxophenalenoxyl system and generated by the chemical reduction of 6-hydroxyphenalenone derivatives. ESR/ENDOR/TRIPLE measurements and DFT calculations provide unequivocal determination of the structure and spin density distribution, which demonstrate redox-based spin diversity of the 6-oxophenalenoxyl system.
authors.affiliation: Department of Chemistry, Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043, Japan. morita@chem.sci.osaka-u.ac.jp
authors.forename: Yasushi
authors.initials: Y
authors.lastname: Morita
authors.forename: Shinsuke
authors.initials: S
authors.lastname: Nishida
authors.forename: Junya
authors.initials: J
authors.lastname: Kawai
authors.forename: Kozo
authors.initials: K
authors.lastname: Fukui
authors.forename: Shigeaki
authors.initials: S
authors.lastname: Nakazawa
authors.forename: Kazunobu
authors.initials: K
authors.lastname: Sato
authors.forename: Daisuke
authors.initials: D
authors.lastname: Shiomi
authors.forename: Takeji
authors.initials: T
authors.lastname: Takui
authors.forename: Kazuhiro
authors.initials: K
authors.lastname: Nakasuji