Premium
Four‐Stage Amphoteric Redox Properties and Biradicaloid Character of Tetra‐ tert ‐butyldicyclopenta[ b ; d ]thieno[1,2,3‐ cd ;5,6,7‐ c ′ d ′]diphenalene
Author(s) -
Kubo Takashi,
Sakamoto Maki,
Akabane Minako,
Fujiwara Yoshinori,
Yamamoto Kagetoshi,
Akita Motoko,
Inoue Katsuya,
Takui Takeji,
Nakasuji Kazuhiro
Publication year - 2004
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200460565
Subject(s) - singlet state , redox , character (mathematics) , quantum chemical , chemistry , tetra , scheme (mathematics) , computational chemistry , medicinal chemistry , organic chemistry , physics , molecule , quantum mechanics , mathematics , mathematical analysis , geometry , excited state
A phenalenyl‐based singlet biradical that shows highly amphoteric redox properties (see scheme) has been prepared by a stepwise synthesis. Its singlet biradical character originates from a small HOMO–LUMO gap, as suggested by quantum chemical calculations and experimental data.