| 1. |
- Bustad, Johnny, et al.
(författare)
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C1s and O1s gas phase shake-up spectra from Mo(CO)6
- 1994
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Ingår i: Chemical Physics. - : Elsevier BV. - 0301-0104 .- 1873-4421. ; 179:3, s. 303-312
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Tidskriftsartikel (refereegranskat)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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| 2. |
- Bustad, Johnny, et al.
(författare)
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Theoretical study of core ionized Cr(CO)6
- 1995
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Ingår i: Journal of Electron Spectroscopy and Related Phenomena. - 0368-2048 .- 1873-2526. ; 70:3, s. 233-244
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Tidskriftsartikel (refereegranskat)abstract
- 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.
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| 3. |
- BUSTAD, J, et al.
(författare)
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THEORETICAL-STUDY OF CORE IONIZED CR(CO)(6)
- 1995
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Ingår i: JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA. - 0368-2048. ; 70:3, s. 233-244
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Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)abstract
- 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
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| 4. |
- Enkvist, C, et al.
(författare)
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Experimental and theoretical study of the C-1s shakeup spectra from biphenyl and p-terphenyl
- 1997
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Ingår i: CHEMICAL PHYSICS. - 0301-0104. ; 214:1, s. 123-130
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Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)abstract
- The experimental and theoretical C-1s shakeup spectra of biphenyl and p-terphenyl have been studied by means of high resolution X-ray photoelectron spectroscopy (XPS) and the intermediate neglect of differential overlap configuration interaction (INDO/CI)
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| 5. |
- Enkvist, C, et al.
(författare)
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Spin coupling in shake-up processes
- 1997
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Ingår i: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. - 0020-7608. ; 63:1, s. 189-196
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Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)abstract
- The treatment of spin coupling in calculations of shake-up states in core photoelectron processes is reviewed and the problems arising when the equivalent core approximation is used to model the core hole are discussed. A method for approximating the inte
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| 6. |
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| 7. |
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| 8. |
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| 9. |
- FRANCIS, JT, et al.
(författare)
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STUDIES OF C 1S-]PI-ASTERISK TRIPLET-STATES OF CARBON-MONOXIDE, BENZENE, ETHYLENE, AND ACETYLENE
- 1994
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Ingår i: CANADIAN JOURNAL OF PHYSICS. - 0008-4204. ; 72:11-12, s. 879-884
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Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)abstract
- The (C 1s(-1),pi*) triplet states of carbon monoxide, benzene, ethylene, and acetylene have been studied using electron energy loss spectroscopy with low-energy (near-threshold) excitation. The singlet-triplet splitting for the (C 1s(-1), pi*) states of t
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| 10. |
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