Direct measurement of the high-spin and low-spin bond lengths and the spinstate population in mixed spin state systems: an FeK-edge XAFS study of iron(III) dithiocarbamate complexes
Cm. Mcgrath et al., Direct measurement of the high-spin and low-spin bond lengths and the spinstate population in mixed spin state systems: an FeK-edge XAFS study of iron(III) dithiocarbamate complexes, INORG CH C, 2(11), 1999, pp. 536-539
A combination of Fe K-edge XAFS and advanced data analysis methods has been
used to determine the Fe-S distances and spin state population in iron(III
) dithiocarbamate spin crossover complexes. This new approach allows for th
e first direct determination of Fe-S bond lengths (2.44(2) Angstrom high-sp
in, 2.30(2) Angstrom low-spin) for both spin state isomers in mixed spin sy
stems in contrast to single crystal X-ray crystallographic determinations w
here only the weighted average of the HS and LS values is observed. The agr
eement between XAFS and magnetic susceptibility derived values of the spin
state populations is very good. (C) 1999 Elsevier Science S.A. All rights r
eserved.