Novel cyclooctatetraene radical cation planarized by full annelation with bicyclo[2.1.1]hexene units.
A novel cyclooctatetraene (COT) radical cation fully annelated with bicyclo[2.1.1]hexene units was prepared as SbCl(6)(-) salt, and planarity of the octagonal ring was clarified by ESR and theoretical calculations. Its longest wavelength absorption (630 nm) is blue-shifted from that (745 nm) of COT radical cation annelated with bicyclo[2.2.2]octene units due to the widening of the HOMO-SOMO gap accompanying the flattening of the COT ring. [structure: see text]
Nishinaga
Tohru
T
Institute for Chemical Research, Kyoto University, Uji, Kyoto 611-0011, Japan.
Uto
Takayuki
T
Komatsu
Koichi
K