E(HOMO-LUMO) /eV         SN NED IED μ(eV) ƞ(eV) ω (eV) DM             (debye) 1 6.9 9.9 -6.3 -3.5 -5.8 1.9 2 6.7 9.9 -6.3 -3.4 -5.8 2.7 3 8.9 9.8 -7.4 -4.5 -6.1 2.8 4 6.1 9.8 -5.9 -3.1 -5.8 3.1 5 6.7 9.9 -6.2 -3.3 -5.8 2.7 6 6.3 9.9 -6.1 -3.2 -5.8 2.8 7 6.1 9.8 -5.9 -3.0 -5.8 3.1 8 6.7 9.9 -6.2 -3.3 -5.8 2.7 9 6.3 9.9 -6.6 -3.2 -5.8 3.0 10 6.1 9.9 -5.9 -3.0 -5.8 3.1 11 6.4 9.9 -6.1 -3.2 -5.8 2.9 12 6.2 9.9 -6.0 -3.1 -5.8 3.3 13 6.1 9.9 -6.0 -3.1 -5.8 2.5 14 6.6 8.8 -6.2 -3.3 -5.8 2.2 15 6.1 9.0 -5.9 -3.0 -5.8 2.6 16 6.2 9.1 -6.0 -3.1 -5.8 2.6 17 6.3 9.0 -6.1 -3.2 -5.8 2.5 18 6.3 8.5 -6.0 -3.1 -5.8 2.8 19 6.0 8.5 -6.0 -3.0 -5.8 2.7 20 5.8 8.5 -5.8 -2.9 -5.8 2.6

cNED: Normal Electron Demand, IED: Inverse Electron Demand, μ: Chemical Potential,ƞ : Chemical Hardness, ω: Global Electrophilicity Index, DM: Dipole Moment.

Table 3: HOMO-LUMO energy gap and global and local properties of the adducts with ED substituentsc