Spectroscopic and theoretical studies on a three-iron cluster with linear arrangement

X. Q. Ding*, H. Paulsen, M. Grodzicki, Ch Butzlaff, A. X. Trautwein, R. Hartung, K. Wieghardt

*Corresponding author for this work
2 Citations (Scopus)


The linear trinuclear iron complex Fe3(SPh)6(CO)6 with bridging benzenethiolate ligands is the subject of temperature- and field-dependent Mössbauer studies. The results reveal the two terminal iron atoms to be diamagnetic (Fe(II) and the central iron atom to be high-spin Fe(II). The magnetic Mössbauer pattern of the latter is dominated by a positive (!) internal field. Complementary to the experimental studies, also theoretical studies are performed. Local density molecular orbital and ligand-field calculations yield an orbitally degenerate ground state that accounts for the unusual electronic and spectroscopic properties.

Original languageEnglish
JournalHyperfine Interactions
Issue number1
Pages (from-to)485-490
Number of pages6
Publication statusPublished - 01.12.1994


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