Research Article
A Novel ZnII Complex Bearing Two Monodentate (4-Methoxyphenyl)[(1E, 2E)-3-phenylprop-2-en-1-ilidene] Schiff Bases: Crystal Structure and DFT Study
Table 2
Selected bond lengths (experimental and calculated) for the [ZnCl2(BS-4-OCH3)2] complex.
| Bond | X-ray (Å) | B3LYP/6-31G++ (Å) |
| Zn1-Cl1 | 2.238(2) | 2.2529 | Zn1-Cl2 | 2.235(2) | 2.2493 | Zn1-N1 | 2.108(4) | 2.1193 | Zn1-N2 | 2.075(3) | 2.1192 | N1-C1 | 1.284(7) | 1.3002 | C1-C2 | 1.454(8) | 1.4352 | C2-C3 | 1.340(7) | 1.3552 | C1-H1 | 0.930 | 1.0950 | N2-C17 | 1.290(6) | 1.3006 | C17-C18 | 1.444(7) | 1.4349 | C18-C19 | 1.339(7) | 1.4349 | C17-H17 | 0.931 | 1.0948 | R2 = 0.986104 | | |
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