Table 3.

Electronic densitites (ρ) (e·bohr⁻³) and Laplacian (Lp) values (e·bohr⁻⁵) of the identified bond critical points for protonated (OH-C1') and deprotonated (O-C1') species 1–5 and their corresponding anions 8–12, as determined from AIM analysis.

Species	H-in (a)		Anion
	ρ	Lp ρ	ρ	Lp ρ
1 (H)	0.0223	−0.0175	0.0163	−0.0155
2 (NO2)	0.0193	−0.0162	0.0176	−0.0167
3 (Cl)	0.0215	−0.0171	0.0167	−0.0162
4 (CH3)	0.0227	−0.0176	0.0162	−0.0155
5 (OCH3)	0.0230	−0.0176	0.0164	−0.0158