Figure 1.
Representations of the spin density of the SOMO of the radical anion of N‐benzyl‐3‐methylindole 17 (a) and N‐benzylcarbazole 22 (b). Geometry optimizations and frequency calculations were carried out in Gaussian13 at M062X/6‐31++G(d,p) level of theory,14, 15 with solvation modelled implicitly using the C‐PCM model16 (For full computational details, see the Supporting Information).