14. Valence Delocalization in Prussian Blue Fe(III)43*xD2O, by Polarized Neutron Diffraction

Article abstract of DOI:10.1002/hlca.19800630115

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, Fe43*xD2O.Measuremants 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 A.The expectation value of S at the Fe(II) site is -0.008+/-0.028 corresponding to an upper limit of about 5percent of an electron for the spin delocalization.