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

Table 5

Calculated natural charges, Fukui functions, and local softness indices for the schiff base (2-CNMBA).

Atom		𝑞𝑁	𝑞𝑁+1	𝑞𝑁−1	𝑓^+	𝑓^−	𝑓^𝑜	𝑠^+	𝑠^−
1	C	−0.25079	−0.16365	−0.08941	0.08714	−0.16138	0.03712	0.041322	−0.07653
2	C	−0.23737	−0.12167	−0.10027	0.1157	−0.1371	0.0107	0.054865	−0.06501
3	C	−0.24278	−0.21169	0.0102	0.03109	−0.25298	0.110945	0.014743	−0.11996
4	C	−0.24284	−0.12075	−0.1506	0.12209	−0.09224	−0.01493	0.057895	−0.04374
5	C	−0.0593	−0.06755	0.05873	−0.00825	−0.11803	0.06314	−0.00391	−0.05597
6	C	0.11317	0.03661	0.10637	−0.07656	0.0068	0.03488	−0.0363	0.003225
7	N	−0.44314	−0.35471	−0.07596	0.08843	−0.36718	0.139375	0.041934	−0.17412
8	C	0.12386	−0.15875	0.04714	−0.28261	0.07672	0.102945	−0.13401	0.036381
9	Cl	0.01263	−0.01662	0.07567	−0.02925	−0.06304	0.046145	−0.01387	−0.02989
10	C	−0.155	−0.07767	0.02588	0.07733	−0.18088	0.051775	0.03667	−0.08577
11	C	−0.18812	−0.14794	−0.09464	0.04018	−0.09348	0.02665	0.019053	−0.04433
12	C	−0.27813	−0.13424	−0.08709	0.14389	−0.19104	0.023575	0.068233	−0.09059
13	C	0.33556	0.03347	0.24292	−0.30209	0.09264	0.104725	−0.14325	0.04393
14	C	−0.31875	−0.12844	−0.13326	0.19031	−0.18549	−0.00241	0.090245	−0.08796
15	C	−0.16547	−0.21981	−0.05762	−0.05434	−0.10785	0.081095	−0.02577	−0.05114
16	O	−0.53224	−0.29096	−0.17334	0.24128	−0.3589	0.05881	0.114415	−0.17019
17	C	−0.32738	−0.15817	−0.17402	0.16921	−0.15336	−0.00793	0.080239	−0.07272