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

Authors
McGrath, CM O'Connor, CJ Sangregorio, C Seddon, JMW Sinn, E Sowrey, FE Young, NA
Citation
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
Citations number
34
Categorie Soggetti
Inorganic & Nuclear Chemistry
Journal title
INORGANIC CHEMISTRY COMMUNICATIONS
ISSN journal
13877003 → ACNP
Volume
2
Issue
11
Year of publication
1999
Pages
536 - 539
Database
ISI
SICI code
1387-7003(199911)2:11<536:DMOTHA>2.0.ZU;2-Z
Abstract
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.