Tribenzo-1,4,5,8,9,12-hexathiatriphenylene Dication and Dibenzo-1,4,5,8-tetrathiaphenanthrene Dication

Abstract Tribenzo-1,4,5,8,9,12-hexathiatriphenylene dication (12+) and dibenzo-1,4,5,8-tetrathiaphenanthrene dication (22+) were generated in concentrated sulfuric acid. Their zero-field splitting parameters were determined as D = 0.012 cm−1, E ≈ 0.00 cm−1 for 12+, and D = 0.012 cm−1, E ≈ 0.00 cm−1 for 22+. The dication 12+ was found to be a triplet in the ground state, whereas 22+ to be a singlet ground state with the singlet-triplet energy gap of −35 ± 2 J/mol.