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Valence Delocalization in Prussian Blue Fe III 4 [Fe II (CN) 6 ] 3 · X D 2 O, by Polarized Neutron Diffraction
Author(s) -
Day Peter,
Herren Fritz,
Ludi Andreas,
Güdel Hans Ulrich,
Hulliger Fritz,
Givord Dominique
Publication year - 1980
Publication title -
helvetica chimica acta
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.74
H-Index - 82
eISSN - 1522-2675
pISSN - 0018-019X
DOI - 10.1002/hlca.19800630115
Subject(s) - prussian blue , chemistry , delocalized electron , neutron diffraction , crystallography , valence (chemistry) , neutron , analytical chemistry (journal) , spin (aerodynamics) , inorganic chemistry , crystal structure , electrochemistry , physics , nuclear physics , organic chemistry , electrode , chromatography , thermodynamics
Polarized neutron diffraction has been used to investigate the spin delocalization from the high‐spin Fe(III) sites to the low‐spin Fe(II) in deuteriated Prussian Blue, Fe 4 [Fe(CN) 6 ] 3 · xD 2 O. Measurements of the 111, 200, and 400 reflections were made on a powdered sample at 3 K and 4.8 T using a neutron wavelength of 1.074 Å. The expectation value of S at the Fe(II) site is ‐ 0.008 ± 0.028 corresponding to an upper limit of about 5% of an electron for the spin delocalization.
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