Unraveling the Photoisomerization Mechanism of Group-8 Fulvalene-Bridged Bimetallic Complexes for Molecular Solar-Thermal Energy Storage.

To account for vibronic effects relevant at room temperature, one can use the Marcus–Levich–Jortner (MLJ) theory, which incorporates quantized nuclear vibrations, capturing nuclear quantum effects that may be significant in the inverted regime. , Applying MLJ confirms distinct ISC mechanisms in the (Fv)­M 2 (CO) 4 (M = Ru, Fe, Os) series ( Supporting Section S11 ).

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