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(A) Orbital occupancies in the S0 state (n2) and the triplet and singlet n,π* states, with α-electrons in red and β-electrons in blue. (B) Illustrations of Mandado’s rule for (anti)aromaticity of separate spins with aromaticity (A) and antiaromaticity (AA) components in the S0 and the triplet π,π* (T1) states of benzene, the triplet π,π* (T1) state of cyclooctatetraene, and the triplet n,π* state of pyridine.
