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Photoinduced Low-Spin → High-Spin Mechanism of an Octahedral Fe(II) Complex Revealed by Synergistic Spin-Vibronic Dynamics

[Image: see text] The Fe(II) low-spin (LS; (1)A(1g), t(2g)(6)e(g)(0)) → high-spin (HS; (5)T(2g), t(2g)(4)e(g)(2)) light-induced excited spin state trapping (LIESST) mechanism solely involving metal-centered states is revealed by synergistic spin-vibronic dynamics simulations. For the octahedral [Fe(...

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Detalles Bibliográficos
Autor principal: Pápai, Mátyás
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8456406/
https://www.ncbi.nlm.nih.gov/pubmed/34498843
http://dx.doi.org/10.1021/acs.inorgchem.1c01838