Biradical character of linear π-conjugated oligomer dications composed of thiophene, pyrrole, and methylthio end-capping units.
Combined DFT calculations and UV-vis-NIR, ESR, and SQUID measurements revealed that the ground-state electronic structure of a linear π-conjugated oligomer dication composed of two pyrrole and six or seven thiophene rings and methylthio end-capping units is dominated by a singlet biradical character.
Department of Chemistry, Graduate School of Science and Engineering, Tokyo Metropolitan University, Hachioji, Tokyo 192-0397, Japan. nishinaga-tohru@tmu.ac.jp
Tohru
T
Nishinaga
Masaki
M
Tateno
Mika
M
Fujii
Wataru
W
Fujita
Masayoshi
M
Takase
Masahiko
M
Iyoda