He(I) and He(II) excited photoelectron spectra of trans-[(η5-C5H5)Fe(CO)2]2 are reported. The assignment of the bands to the ionization events is based on experimental criteria as well as on the results of “ab initio” calculations. The agreement between computed and measured ionization energies appears satisfactory when the effect of the relaxation terms, especially important for ionization processes originating from predominantly metal orbitals, is taken into account. © 1980, All rights reserved.
Electronic structure of trans-[(η5-C5H5)Fe(CO)2]2 by He(I) and He(II) photoelectron spectroscopy and AB initio calculations
GRANOZZI, GAETANO;TONDELLO, EUGENIO;
1980
Abstract
He(I) and He(II) excited photoelectron spectra of trans-[(η5-C5H5)Fe(CO)2]2 are reported. The assignment of the bands to the ionization events is based on experimental criteria as well as on the results of “ab initio” calculations. The agreement between computed and measured ionization energies appears satisfactory when the effect of the relaxation terms, especially important for ionization processes originating from predominantly metal orbitals, is taken into account. © 1980, All rights reserved.
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