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.
[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.
Morita
Yasushi
Y
Department of Chemistry, Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043, Japan. morita@chem.sci.osaka-u.ac.jp
Nishida
Shinsuke
S
Kawai
Junya
J
Fukui
Kozo
K
Nakazawa
Shigeaki
S
Sato
Kazunobu
K
Shiomi
Daisuke
D
Takui
Takeji
T
Nakasuji
Kazuhiro
K