Research Article

Theoretical Study of Chloro-N-(4-methoxybenzylidene)aniline Derivatives as Corrosion Inhibitors for Zinc in Hydrochloric Acid

Table 3

Calculated natural charges, Fukui functions, and local softness indices for the schiff base (4-CNMBA).

Atom

1C−0.2196−0.14569−0.042640.07391−0.17696−0.051530.035735−0.08556
2C−0.24488−0.13166−0.130840.11322−0.11404−0.000410.054742−0.05514
3C−0.06522−0.120440.08584−0.05522−0.15106−0.10314−0.0267−0.07304
4C−0.24402−0.11844−0.117510.12558−0.12651−0.000470.060718−0.06117
5C−0.24886−0.17656−0.068710.0723−0.18015−0.053930.034957−0.0871
6C0.120380.038840.11527−0.081540.00511−0.03822−0.039420.002471
7N−0.45311−0.35283−0.095530.10028−0.35758−0.128650.048485−0.17289
8C0.11904−0.157540.05276−0.276580.06628−0.10515−0.133730.032046
9C−0.15354−0.075950.019120.07759−0.17266−0.047540.037515−0.08348
10C−0.1888−0.14648−0.091760.04232−0.09704−0.027360.020462−0.04692
11C−0.27749−0.13428−0.091480.14321−0.18601−0.02140.069242−0.08994
12C0.334730.037420.2429−0.297310.09183−0.10274−0.143750.0444
13C−0.3188−0.12951−0.13540.18929−0.18340.0029450.091522−0.08867
14C−0.16776−0.21797−0.05563−0.05021−0.11213−0.08117−0.02428−0.05421
15Cl−0.00453−0.037520.09301−0.03299−0.09754−0.06527−0.01595−0.04716
16O−0.5322−0.29037−0.177150.24183−0.35505−0.056610.116925−0.17167
17C−0.32732−0.15824−0.173620.16908−0.15370.007690.08175−0.07431