Ultrafast intersystem crossings in Fe-Co Prussian blue analogues

Abstract Ultrafast spincrossover is studied in Fe-Co Prussian blue analogues using a dissipative quantum-mechanical model of a cobalt ion coupled to a breathing mode. All electronic interactions are treated on an equal footing. It is theoretically demonstrated that the divalent cobalt ion reaches 90...

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Autor principal:	Michel van Veenendaal
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/50dad9edc11f42598e4fd9de03baa9eb
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spelling	oai:doaj.org-article:50dad9edc11f42598e4fd9de03baa9eb2021-12-02T15:06:06ZUltrafast intersystem crossings in Fe-Co Prussian blue analogues10.1038/s41598-017-06664-42045-2322https://doaj.org/article/50dad9edc11f42598e4fd9de03baa9eb2017-07-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-06664-4https://doaj.org/toc/2045-2322Abstract Ultrafast spincrossover is studied in Fe-Co Prussian blue analogues using a dissipative quantum-mechanical model of a cobalt ion coupled to a breathing mode. All electronic interactions are treated on an equal footing. It is theoretically demonstrated that the divalent cobalt ion reaches 90% of the $$S{\boldsymbol{=}}\frac{{\bf{3}}}{{\bf{2}}}$$ S = 3 2 value within 20 fs after photoexciting a low-spin Co3+ ion by an iron-to-cobalt charge transfer. The doublet-to-quartet spin crossover is significantly faster than the oscillation period of the breathing mode. The system relaxes to the lowest manifold of divalent cobalt (4 T 1) in 150–200 fs. Strong oscillations in spin-orbit coupling and the involvement of higher-lying quartets are found.Michel van VeenendaalNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 7, Iss 1, Pp 1-7 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Michel van Veenendaal Ultrafast intersystem crossings in Fe-Co Prussian blue analogues
description	Abstract Ultrafast spincrossover is studied in Fe-Co Prussian blue analogues using a dissipative quantum-mechanical model of a cobalt ion coupled to a breathing mode. All electronic interactions are treated on an equal footing. It is theoretically demonstrated that the divalent cobalt ion reaches 90% of the $$S{\boldsymbol{=}}\frac{{\bf{3}}}{{\bf{2}}}$$ S = 3 2 value within 20 fs after photoexciting a low-spin Co3+ ion by an iron-to-cobalt charge transfer. The doublet-to-quartet spin crossover is significantly faster than the oscillation period of the breathing mode. The system relaxes to the lowest manifold of divalent cobalt (4 T 1) in 150–200 fs. Strong oscillations in spin-orbit coupling and the involvement of higher-lying quartets are found.
format	article
author	Michel van Veenendaal
author_facet	Michel van Veenendaal
author_sort	Michel van Veenendaal
title	Ultrafast intersystem crossings in Fe-Co Prussian blue analogues
title_short	Ultrafast intersystem crossings in Fe-Co Prussian blue analogues
title_full	Ultrafast intersystem crossings in Fe-Co Prussian blue analogues
title_fullStr	Ultrafast intersystem crossings in Fe-Co Prussian blue analogues
title_full_unstemmed	Ultrafast intersystem crossings in Fe-Co Prussian blue analogues
title_sort	ultrafast intersystem crossings in fe-co prussian blue analogues
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/50dad9edc11f42598e4fd9de03baa9eb
work_keys_str_mv	AT michelvanveenendaal ultrafastintersystemcrossingsinfecoprussianblueanalogues
_version_	1718388582157123584

Ultrafast intersystem crossings in Fe-Co Prussian blue analogues

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