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

Table 4

Calculated natural charges, Fukui functions, and local softness indices for the schiff base (3-CNMBA).

Atom		𝑞𝑁	𝑞𝑁+1	𝑞𝑁−1	𝑓^+	𝑓^−	𝑓^𝑜	𝑠^+	𝑠^−
1	C	−0.23802	−0.15223	−0.00325	0.08579	−0.23477	−0.07449	0.040948	−0.11206
2	C	−0.22184	−0.12141	−0.14476	0.10043	−0.07708	0.011675	0.047935	−0.03679
3	C	−0.26326	−0.22868	0.02666	0.03458	−0.28992	−0.12767	0.016505	−0.13838
4	C	−0.04642	−0.01673	−0.02292	0.02969	−0.0235	0.003095	0.014171	−0.01122
5	C	−0.27494	−0.18587	−0.10333	0.08907	−0.17161	−0.04127	0.042513	−0.08191
6	C	0.13715	0.04358	0.10267	−0.09357	0.03448	−0.02955	−0.04466	0.016457
7	N	−0.45246	−0.3519	−0.08289	0.10056	−0.36957	−0.13451	0.047997	−0.1764
8	C	0.12165	−0.15952	0.04464	−0.28117	0.07701	−0.10208	−0.1342	0.036757
9	C	−0.15444	−0.14618	0.03144	0.00826	−0.18588	−0.08881	0.003942	−0.08872
10	C	−0.18766	−0.22069	−0.09419	−0.03303	−0.09347	−0.06325	−0.01577	−0.04461
11	C	−0.27739	−0.30396	−0.08569	−0.02657	−0.1917	−0.10914	−0.01268	−0.0915
12	C	0.33564	0.03726	0.2462	−0.29838	0.08944	−0.10447	−0.14242	0.04269
13	C	−0.3189	−0.12939	−0.13187	0.18951	−0.18703	0.00124	0.090453	−0.08927
14	C	−0.16701	−0.21838	−0.05691	−0.05137	−0.1101	−0.08074	−0.02452	−0.05255
15	Cl	−0.00679	−0.03136	0.04529	−0.02457	−0.05208	−0.03833	−0.01173	−0.02486
16	O	−0.53188	−0.29041	−0.16938	0.24147	−0.3625	−0.06052	0.115254	−0.17302
17	C	−0.32737	−0.15822	−0.17437	0.16915	−0.153	0.008075	0.080735	−0.07303