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. 2022 Oct 17;7(43):39268–39279. doi: 10.1021/acsomega.2c05380

Table 4. Theoretical and Experimental (Solid-State) Thermodynamic Parameters for Complexes 13.

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