Figure 5.

B3LYP/6-31G(d) local electronic properties of diene 1′ and nitrodiene 1 presented as three-dimensional representations (3D) of Mulliken atomic spin densities for radical anions 1˙⁻ and 1′˙⁻ and radical cations 1˙⁺ and 1′˙⁺ together with the electrophilic P_k⁺ and the nucleophilic P_k⁻ Parr functions values (given in yellow) as well as the indices of the local electrophilicity ω_k of 1˙⁻ and 1′˙⁻ (given in red, in eV) and the local nucleophilicity N_k of 1˙⁺ and 1′˙⁺ (given in blue, in eV).