. 2025 Aug 27;64(35):17935–17945. doi: 10.1021/acs.inorgchem.5c02940

4. Thermodynamic and Kinetic Parameters Describing Reactivity of V ₆ O ₆ Cl ^–, V ₆ O ₆ SCN ^–, and V ₆ O ₇ ^– with H₂Phen.

complex	V ₆ O ₆ Cl ^–	V ₆ O ₆ SCN ^–	V ₆ O ₇ ^–
ox. state distribution	V^VV^IV ₄V^III	V^VV^IV ₄V^III	V^VV^IV ₅
BDFE (kcal mol^–1)	59.4 ± 0.4	59.4 ± 0.4	59.7 ± 0.1
k _PCET (M^–1 s^–1@298 K)	0.0545 ± 0.005	0.112 ± 0.006	0.020 ± 0.002
ΔH ^⧧ (kcal mol^–1)	9.0 ± 0.8	7.3 ± 0.7	10.2 ± 1.3
ΔS ^⧧ (cal mol^–1 K^–1)	–29.5 ± 2.8	–34.2 ± 2.2	–32.0 ± 4.2
ΔG ^⧧ (kcal mol^–1)	17.8 ± 1.7	17.5 ± 1.3	19.7 ± 2.5

4. Thermodynamic and Kinetic Parameters Describing Reactivity of V 6 O 6 Cl – , V 6 O 6 SCN – , and V 6 O 7 – with H2Phen.