Resonant x-ray diffraction as a tool to calculate mixed valence ratios: Application to Prussian Blue materials | Zendy

Fábio Furlan Ferreira | Zendy; Paulo R. Bueno | Zendy; Grazielle Oliveira Setti | Zendy; David Giménez-Romero | Zendy; José Juan García-Jareño | Zendy; Francisco Vicente | Zendy

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Resonant x-ray diffraction as a tool to calculate mixed valence ratios: Application to Prussian Blue materials

Author(s) -

Fábio Furlan Ferreira,

Paulo R. Bueno,

Grazielle Oliveira Setti,

David Giménez-Romero,

José Juan García-Jareño,

Francisco Vicente

Publication year - 2008

Publication title -

applied physics letters

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.182

H-Index - 442

eISSN - 1077-3118

pISSN - 0003-6951

DOI - 10.1063/1.2952457

Subject(s) - prussian blue , valence (chemistry) , diffraction , x ray crystallography , synchrotron , dispersion (optics) , materials science , powder diffraction , analytical chemistry (journal) , crystallography , chemistry , optics , physics , electrode , electrochemistry , organic chemistry

An approach is proposed here to calculate mixed valence ratios in molecular compounds. Synchrotron x-ray powder diffraction experiments were conducted to determine the Fe+3∕Fe+2 ratio in Prussian Blue compounds, which were elected as an example of the use of this approach. As a result, a resonant x-ray diffraction measurement provided direct evidence that the vacant [Fe(CN)6] group was randomly absent from ∼31% of the structure, which was indicated by structural differences caused by variations in the anomalous dispersion term. These findings are very important for a deeper understanding of the changes occurring in properties during in situ compositional variations.An approach is proposed here to calculate mixed valence ratios in molecular compounds. Synchrotron x-ray powder diffraction experiments were conducted to determine the Fe+3∕Fe+2 ratio in Prussian Blue compounds, which were elected as an example of the use of this approach. As a result, a resonant x-ray diffraction measurement provided direct evidence that the vacant [Fe(CN)6] group was randomly absent from ∼31% of the structure, which was indicated by structural differences caused by variations in the anomalous dispersion term. These findings are very important for a deeper understanding of the changes occurring in properties during in situ compositional variations.

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