Fig. 7: Excited state dynamics of [Fe(bmip)2]2+. | Nature Communications

Fig. 7: Excited state dynamics of [Fe(bmip)2]2+.

From: Vibrational wavepacket dynamics in Fe carbene photosensitizer determined with femtosecond X-ray emission and scattering

Fig. 7

(Lower half) Population and structural dynamics following photoexcitation. Initial MLCT state relaxes ultrafast with 110 fs time constant and 40% yield to the 3MC state which triggers vibrational wavepacket dynamics along an effective Fe-ligand (L) stretching coordinate with 278 fs period. The remaining 60% of the MLCT decays to the GS through the 3MC with a 9 ps time constant. Black line: GS potential energy surface (PES); red lines and red shaded area: MLCT states PESs; magenta line: 3MC state PES. Orange arrows: radiative transitions; black arrows: fast coherent dynamics; Gray dashed arrows: slower incoherent dynamics. (Upper half) The origin of XES structural sensitivity due to core-level vibronic coupling between 1s and 2p core-ionized states. Note the displacement of the respective 3MC 1s and 2p core-ionized PESs (magenta lines). All PESs are qualitative.

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