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Direct observation of nuclear reorganization driven by ultrafast spin transitions.
Jiang, Yifeng; Liu, Lai Chung; Sarracini, Antoine; Krawczyk, Kamil M; Wentzell, Jordan S; Lu, Cheng; Field, Ryan L; Matar, Samir F; Gawelda, Wojciech; Müller-Werkmeister, Henrike M; Miller, R J Dwayne.
Afiliación
  • Jiang Y; Max Planck Institute for the Structure and Dynamics of Matter, Luruper Chaussee 149, 22761, Hamburg, Germany.
  • Liu LC; European XFEL, Holzkoppel 4, 22869, Schenefeld, Germany.
  • Sarracini A; Departments of Chemistry and Physics, University of Toronto, 80 St. George St., Toronto, M5S 3H6, ON, Canada.
  • Krawczyk KM; Uncharted Software, 600-2 Berkeley St., Toronto, M5A 4J5, ON, Canada.
  • Wentzell JS; Departments of Chemistry and Physics, University of Toronto, 80 St. George St., Toronto, M5S 3H6, ON, Canada.
  • Lu C; Departments of Chemistry and Physics, University of Toronto, 80 St. George St., Toronto, M5S 3H6, ON, Canada.
  • Field RL; Departments of Chemistry and Physics, University of Toronto, 80 St. George St., Toronto, M5S 3H6, ON, Canada.
  • Matar SF; Departments of Chemistry and Physics, University of Toronto, 80 St. George St., Toronto, M5S 3H6, ON, Canada.
  • Gawelda W; Departments of Chemistry and Physics, University of Toronto, 80 St. George St., Toronto, M5S 3H6, ON, Canada.
  • Müller-Werkmeister HM; Lebanese German University, LGU, Sahel-Alma, P.O. Box 206, Jounieh, Lebanon.
  • Miller RJD; European XFEL, Holzkoppel 4, 22869, Schenefeld, Germany.
Nat Commun ; 11(1): 1530, 2020 Mar 23.
Article en En | MEDLINE | ID: mdl-32251278
One of the most basic molecular photophysical processes is that of spin transitions and intersystem crossing between excited states surfaces. The change in spin states affects the spatial distribution of electron density through the spin orbit coupling interaction. The subsequent nuclear reorganization reports on the full extent of the spin induced change in electron distribution, which can be treated similarly to intramolecular charge transfer with effective reaction coordinates depicting the spin transition. Here, single-crystal [FeII(bpy)3](PF6)2, a prototypical system for spin crossover (SCO) dynamics, is studied using ultrafast electron diffraction in the single-photon excitation regime. The photoinduced SCO dynamics are resolved, revealing two distinct processes with a (450 ± 20)-fs fast component and a (2.4 ± 0.4)-ps slow component. Using principal component analysis, we uncover the key structural modes, ultrafast Fe-N bond elongations coupled with ligand motions, that define the effective reaction coordinate to fully capture the relevant molecular reorganization.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Nat Commun Asunto de la revista: BIOLOGIA / CIENCIA Año: 2020 Tipo del documento: Article País de afiliación: Alemania Pais de publicación: Reino Unido
Texto completo
Añadir a Mi BVS
Imprimir
XML
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Nat Commun Asunto de la revista: BIOLOGIA / CIENCIA Año: 2020 Tipo del documento: Article País de afiliación: Alemania Pais de publicación: Reino Unido