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Theoretical study of core ionized Cr(CO)6
University of Gävle, Department of Mathematics, Natural and Computer Sciences, Ämnesavdelningen för naturvetenskap.
1995 (English)In: Journal of Electron Spectroscopy and Related Phenomena, ISSN 0368-2048, Vol. 70, no 3, 233-244 p.Article in journal (Refereed) Published
Abstract [en]

The satellite structure of the Cls and Ols photoelectron spectra of chromium hexacarbonyl Cr(CO)(6) has been calculated by the INDO/CI method and compared with available high resolution core level photoelectron spectra. A reassignment of some of the lines is made. It is found that the satellite structure in both cases is dominated by excitations from metal-ligand bonding to metal-ligand antibonding Me(3d)-pi* orbitals, and that these shake-up excitations involve a significant charge transfer to the core ionized ligand from the rest of the molecule.

Place, publisher, year, edition, pages
1995. Vol. 70, no 3, 233-244 p.
Identifiers
URN: urn:nbn:se:hig:diva-1193ISI: A1995QF22700007OAI: oai:DiVA.org:hig-1193DiVA: diva2:117855
Available from: 2008-06-16 Created: 2008-06-16 Last updated: 2012-02-02Bibliographically approved

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10.1016/0368-2048(94)02231-3

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