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Branching mechanism of photoswitching in an Fe(II) polypyridyl complex explained by full singlet-triplet-quintet dynamics

Chemistry

Branching mechanism of photoswitching in an Fe(II) polypyridyl complex explained by full singlet-triplet-quintet dynamics

T. Rozgonyi, G. Vankó, et al.

Discover how irradiation with visible light triggers the transformation of Fe(II) polypyridines from low-spin to high-spin states. This groundbreaking study, conducted by Tamás Rozgonyi, György Vankó, and Mátyás Pápai, delves into the dynamic photophysical processes of the [Fe(terpy)₂]²⁺ complex, unveiling sub-picosecond dynamics and intriguing breathing oscillations.

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Playback language: English
Abstract
Irradiation with visible light converts Fe(II) polypyridines from their low-spin (singlet) to high-spin (quintet) state. This paper simulates the full singlet-triplet-quintet dynamics of the [Fe(terpy)₂]²⁺ complex to clarify the photodynamics. A branching mechanism is reported, involving two sequential processes: a dominant ³MLCT→³MC(³T₂g)→³MC(³T₁g)→⁵MC, and a minor ³MLCT→³MC(³T₂g)→⁵MC component. The quintet state is populated on the sub-picosecond timescale with non-exponential dynamics and coherent Fe-N breathing oscillations. Results agree with experimental data on Fe(II) polypyridines.
Publisher
Communications Chemistry
Published On
Jan 09, 2023
Authors
Tamás Rozgonyi, György Vankó, Mátyás Pápai
Tags
Fe(II) polypyridines
photodynamics
quintet state
singlet-triplet dynamics
MLCT
MC states
time-resolved

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