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- Bustad, Johnny, et al.
(author)
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C1s and O1s gas phase shake-up spectra from Mo(CO)6
- 1994
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In: Chemical Physics. - : Elsevier BV. - 0301-0104 .- 1873-4421. ; 179:3, s. 303-312
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Journal article (peer-reviewed)abstract
- Experimental high-resolution core photoelectron C1s and O1s shake-up spectra of molybdenum hexacarbonyl, Mo(CO)(6), are reported and compared with results of semiempirical INDO/CI calculations. Several hitherto unobserved peaks are identified and assigned. It is found that an intra- and inter-group classification can be used to describe the transitions. The transitions of lowest energy have Mo-CO inter-group character. Dynamical effects on the line widths of the experimental shake-up peaks are discussed. A discussion of the relevance of experimental results obtained for the Mo(CO)(6)e for CO adsorption on metal surfaces is presented.
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| 4. |
- Bustad, Johnny
(author)
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Shake-up studies of model systems for adsorbates : Department of Quantum Chemistry, Uppsala University
- 1993
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Licentiate thesis (other academic/artistic)abstract
- Shake-up studies of model systems for adsorbates are presented. The molecule CO adsorbed on transition metal surfaces belong to one of the most studied systems in surface science. The interest is motivated by fundamental questions about the adsorbate-substrate interaction as well as technical applications, such as catalysis. A good starting point in order to get more detailed understanding of the CO-metal interaction is to study the transition metal carbonyls, where CO is coordinated to metal atoms. It has been found that many aspects of the adsorbate systems can be modelled by these molecules. These are the main reasons for studying the molecules Mo(CO)6 and Cr(CO)6, for which results are reported in this thesis.
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