Research Article
Synthesis and Characterization of β-Diketimine Schiff Base Complexes with Ni(II) and Zn(II) Ions: Experimental and Theoretical Study
Table 5
Free energy (G), E (thermal), CV, and entropy (S) calculated for structures 1, 2, & 3.
| | | G (hartree/particle) | E (kcal/mol) | CV (cal/mol-kelvin) | S (cal/mol-kelvin) |
| | β-Diketimine | −1301.59 | 305.152 | 106.571 | 204.985 | | β-Diketimine tautomer | −1301.60 | 305.939 | 105.983 | 195.669 | | Ni(II) β-diketimine | −3424.22 | 357.139 | 128.748 | 223.575 | | Zn(II) β-diketimine | −3696.00 | 358.389 | 133.230 | 237.364 |
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