Research Article
Synthesis and Characterization of β-Diketimine Schiff Base Complexes with Ni(II) and Zn(II) Ions: Experimental and Theoretical Study
Table 3
Selected bond lengths and bond angles calculated at the M062x method with the 6-31G(d) basis set for 1 and its tautomer.
| | | β-Diketimine | β-Diketimine tautomer |
| | Bond length (A°) | | 1C-2C | 1.515 | 1.370 | | 2C-3C | 1.509 | 1.445 | | 1C-6N | 1.273 | 1.362 | | 3C-5N | 1.273 | 1.297 | | 3C-31C | 1.509 | 1.515 | | 1C-27C | 1.510 | 1.505 | | 7C-5N | 1.404 | 1.399 | | 17C-6N | 1.406 | 1.397 |
| | Bond angle (°) | | 6N-1C-27C | 126.46 | 119.76 | | 5N-3C-31C | 126.58 | 124.11 | | 5N-3C-2C | 116.80 | 120.60 | | 6N-1C-2C | 118.66 | 120.78 | | 1C-6N-17C | 121.21 | 122.41 | | 3C-5N-7C | 120.98 | 122.47 |
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