An ESR study has been made of the high nuclearity paramagnetic metal cluster anions [Rh12(CO)13(μ2-CO)10(C)2]3-, [Co13(CO)12(μ2-CO)12(C)2]4- and [Co6(CO)8(μ2-CO)6C]-. The assignment of the HOMO is based on a mixed valence model which relates the g tensor components of cluster systems to those of an appropriate conventional paramagnetic center. With this model the HOMOs of [Rh12(CO)13(μ2-CO)10(C)2]3- and of [Co13(CO)12(μ2-CO)12(C)2]4- are found to be mainly comprised of metal dz2 atomic orbitals, while for [Co6(CO)8(μ2-CO)6C]- a large overlap between d atomic orbitals and ligand orbitals is suggested. The occupation of the valence molecular orbitals deduced from the ESR data is consistent with the variations in MM bond distance observed by X-ray analysis. © 1982.

ESR investigation of paramagnetic carbonyl-metal clusters of high nuclearity / T. Beringhelli, F. Morazzoni, D. Strumolo. - In: JOURNAL OF ORGANOMETALLIC CHEMISTRY. - ISSN 0022-328X. - 236:1(1982), pp. 109-118.

ESR investigation of paramagnetic carbonyl-metal clusters of high nuclearity

T. Beringhelli
Primo
;
D. Strumolo
Ultimo
1982

Abstract

An ESR study has been made of the high nuclearity paramagnetic metal cluster anions [Rh12(CO)13(μ2-CO)10(C)2]3-, [Co13(CO)12(μ2-CO)12(C)2]4- and [Co6(CO)8(μ2-CO)6C]-. The assignment of the HOMO is based on a mixed valence model which relates the g tensor components of cluster systems to those of an appropriate conventional paramagnetic center. With this model the HOMOs of [Rh12(CO)13(μ2-CO)10(C)2]3- and of [Co13(CO)12(μ2-CO)12(C)2]4- are found to be mainly comprised of metal dz2 atomic orbitals, while for [Co6(CO)8(μ2-CO)6C]- a large overlap between d atomic orbitals and ligand orbitals is suggested. The occupation of the valence molecular orbitals deduced from the ESR data is consistent with the variations in MM bond distance observed by X-ray analysis. © 1982.
Settore CHIM/03 - Chimica Generale e Inorganica
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/2434/178479
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