Table 4. Theoretical and Experimental (Solid-State) Thermodynamic Parameters for Complexes 1–3.
complexes | ΔH (kJ mol–1) (exp.) | ΔH (kJ mol–1) (calc.) | ΔS (J mol–1 K–1) (exp.) | ΔS (J mol–1 K–1) (calc.) | T1/2 (K) (exp.) | T1/2 (K) (calc.) |
---|---|---|---|---|---|---|
1 | 20.06 | 12.744 | 91.66 | 60.183 | 219 | 211 |
2 | 8.82 | 19.707 | 35.16 | 61.367 | 251 | 321 |
3 | 20.07 | 19.949 | 54.85 | 60.467 | 366 | 329 |