Still, for 4 the lowest 1 n,* state (the S2 state) is of mixed n,*/Rydberg character in contrast to the lowest 3 n,* state which is a pure valence excited state. On the other hand, for 3 the first 1 n,* state is the 1 1 A2 (Type II, Figure ), opposite to the other 6-MR monoheteroaromatics for which the lowest 1 n,* states are 1 1 B1. In summary, the extents of (anti)aromaticity of the lowest singlet and triplet n,* states are similar in four of the six 6-MR monoheteroaromatics. Now, are n,* states with highly aromatic residuals normally T1 states, while the T1 and S1 states are of * character for heteroaromatics which have lowest n,* states with non-or antiaromatic residuals? Figure clarifies that for 6-MR monoheteroaromatics this is the case for some, e.g., 3 with an aromatic residual and T1 and S1 states of n,* character, and 6 with an antiaromatic residual and T1 and S1 states of * character. However, 1 with a residual that leans towards antiaromaticity also has T1 and S1 states of n,* nature. Noteworthy, the order between the lowest 3 n,* and 3 * transitions, as well as the type of 3 n,* state (B1 or A2), are nearly always the same with UDFT and TD-DFT (Tables and), except for 1 and 4 for which the order of 3 n,* and 3 * transitions are switched. In summary, the electronegativity of the heteroatom influences the order and energy difference between the b1 and a2 symmetric * orbitals (see below), and consequently, it has a great impact on the order of the 3 n,* and 3 * transitions.