A Mössbauer Effect Study of the Bonding in Several Organoiron Carbonyl Clusters
After a brief review of the applications of the Mössbauer effect to cyclopentadienyl containing compounds, the chemistry and spectral properties of the various iron carbonyl complexes are described. The electronic properties of a series of trinuclear and tetranuclear organoiron clusters have been investigated through Fenske-Hall self-consistent field molecular orbital calculations, and the results are compared with the Mössbauer effect isomer shifts. A linear correlation is found between the Slater effective nuclear charge, as calculated from the Fenske-Hall partial orbital occupancy factors, and the isomer shift. In these compounds the 4s orbital populations are rather constant. However, the cis and trans isomers of [CpFe(CO) 2] 2 have a significantly lower 4s orbital populations. In this case, the reduced 4s population must be accounted for by adding it to the effective nuclear charge to obtain a good correlation with the isomer shift. © 1988 J.C. Baltzer AG, Scientific Publishing Company.
G. J. Long and J. F. O'Brien, "A Mössbauer Effect Study of the Bonding in Several Organoiron Carbonyl Clusters," Hyperfine Interactions, Springer Verlag, Jan 1988.
The definitive version is available at https://doi.org/10.1007/BF02049082
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© 1988 Springer Verlag, All rights reserved.