Thermally and Light-Induced Spin-Crossover in Iron(III) Complexes with Benzophenone-Based Saltrien Ligands: Hysteresis, Two-Step Transitions, and the LIESST Effect.

The calculated 2 T 2g – 6 A 1g energy separations and 10Dq values indicate an increasing trend in T 1/2 in the order C4 ≈ C3 < C1 < C2 , which does not reflect the experimentally observed behavior ( Figure a).

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