T. Nakai et al., TRIBENZO-1,4,5,8,9,12-HEXATHIATRIPHENYLENE DICATION AND DIBENZO-1,4,5,8-TETRATHIAPHENANTHRENE DICATION, Chemistry Letters, (9), 1998, pp. 933-934
Tribenzo-1,4,5,8,9,12-hexathiatriphenylene dication (1(2+)) and dibenz
o-1,4,5,8-tetrathiaphenanthrene dication (2(2+)) were generated in con
centrated sulfuric acid. Their zero-field splitting parameters were de
termined as D = 0.012 cm(-1), E approximate to 0.00 cm(-1) for 1(2+),
and D = 0.012 cm(-1), E approximate to 0.00 cm(-1) for 2(2+). The dica
tion 1(2+) was found to be a triplet in the ground state, whereas 2(2) to be a singlet ground state with the singlet-triplet energy gap of
-35 +/- 2 J/mol.