Control of iron(II)‐tris(2,2'‐bipyridine) light‐induced excited‐state trapping via external electromagnetic fields
Résumé
Light‐induced excited spin‐state trapping reactions in iron pyridinic complexes allow the iron's low‐to‐high spin transition in a sub‐picosecond timescale. Employing a recently developed model for [Fe(2,2'‐bipyridine)3]2+ photochemical spin‐crossover reaction in conjunction with quantum wavepacket dynamics, we explore the possibility of controlling the reaction through external electromagnetic fields, aiming at stabilizing the initial metal‐to‐ligand charge transfer states. We show that simple Gaussian‐shaped electromagnetic fields have a minor effect on the population kinetics. However, introducing vibrationally excited initial wavepacket representations allow to maintain trapped the population into the metal‐to‐ligand charge transfer states. Using optimal control theory, we propose an electromagnetic field shape that increases the lifetime of metal‐to‐ligand charge transfer states. These results open the route for controlling the iron photochemistry through the action of external electric fields.
Domaines
Chimie théorique et/ou physique
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Effect_of_laser_on_Fe_bpy_3-6.pdf (1.67 Mo)
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Effect_of_laser_on_Fe_bpy_3-7.pdf (1.29 Mo)
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