Singlet biradical character of phenalenyl-based Kekulé hydrocarbon with naphthoquinoid structure.
[reaction: see text] A new Kekulé polycyclic hydrocarbon with a singlet biradical index of 50% was synthesized. The singlet biradical character was assessed with UV and 1H-NMR spectroscopy, cyclic voltammetry, SQUID magnetic susceptibility measurement, and quantum chemical calculations.
Kubo
Takashi
T
Department of Chemistry, Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043, Japan. kubo@chem.sci.osaka-u.ac.jp
Shimizu
Akihiro
A
Uruichi
Mikio
M
Yakushi
Kyuya
K
Nakano
Masayoshi
M
Shiomi
Daisuke
D
Sato
Kazunobu
K
Takui
Takeji
T
Morita
Yasushi
Y
Nakasuji
Kazuhiro
K