| 1. |
- Bustad, Johnny, et al.
(author)
-
C1s and O1s gas phase shake-up spectra from Mo(CO)6
- 1994
-
In: Chemical Physics. - : Elsevier BV. - 0301-0104 .- 1873-4421. ; 179:3, s. 303-312
-
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.
|
|
| 2. |
- BUSTAD, J, et al.
(author)
-
THEORETICAL-STUDY OF CORE IONIZED CR(CO)(6)
- 1995
-
In: JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA. - 0368-2048. ; 70:3, s. 233-244
-
Journal article (other academic/artistic)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
|
|
| 3. |
|
|
| 4. |
|
|
| 5. |
|
|
| 6. |
- Persson, Petter, et al.
(author)
-
N1s x-ray Absorption Study of the Bonding Interaction of Bi-Isonicotinic Acid on Rutile TiO2 (110)
- 2000
-
In: Journal of Chemical Physics. - : AIP Publishing. - 0021-9606 .- 1089-7690. ; 112:9, s. 3945-3948
-
Journal article (peer-reviewed)abstract
- N1s x-ray absorption spectra of bi-isonicotinic acid (2,28-bipyridine–4,48-dicarboxylic acid! on rutile TiO2(110) have been studied experimentally and quantum chemically. Differences between multilayer and monolayer spectra are explained by the adsorbate bonding to the substrate. A connection to the electronic coupling in dye-sensitized electrochemical devices is made.
|
|
| 7. |
- Rensmo, H, et al.
(author)
-
XPS studies of Ru-polypyridine complexes for solar cell applications
- 1999
-
In: JOURNAL OF CHEMICAL PHYSICS. - 0021-9606. ; 111:6, s. 2744-2750
-
Journal article (peer-reviewed)abstract
- A series of Ru-polypyridine dyes has been studied with electron spectroscopy using AlK alpha and synchrotron radiation. Both pure complexes and complexes adsorbed on nanostructured TiO2 (anatase) surfaces have been examined and special emphasis was g
|
|
| 8. |
- Ristinmaa Sörensen, Stacey, et al.
(author)
-
Site-Selective Participator Decay of Core-Excited Butadiene
- 1996
-
In: Journal of Chemical Physics. - : AIP Publishing. - 0021-9606 .- 1089-7690. ; 105, s. 10719-10724
-
Journal article (peer-reviewed)abstract
- The decay of core-excited electronic states in free 1,3 trans butadiene molecules has been studied using high-resolution synchrotron radiation and electron spectrometry. The core-level energy shift between the terminal and central carbon atoms is 0.64 eV making selective excitation of core electrons from these atoms possible. Resonant excitation to the au(*) valence state leads to autoionizing decay channels which proceed according to the atomic site in the molecule. The radiationless decay is localized, and certain molecular orbitals are excluded from the decay depending upon the site of the core hole. This phenomenon is confirmed by semiempirical INDO calculations based upon the equivalent core approximation. The vibrational structure of the resonances below the carbon K edge has been measured and fit to extract vibrational energies and intensities, chemical shifts, and the lifetimes of the centrally and terminally excited states. The C 1s spectrum is also measured with vibrational resolution and the energies of the normal vibrational modes are extracted. The bond lengths are derived by application of a linear coupling analysis.
|
|
| 9. |
|
|
| 10. |
- Sorensen, SL, et al.
(author)
-
Site-selective participator decay of core-excited butadiene
- 1996
-
In: JOURNAL OF CHEMICAL PHYSICS. - 0021-9606. ; 105:24, s. 10719-10724
-
Journal article (other academic/artistic)abstract
- The decay of core-excited electronic states in free 1,3 trans butadiene molecules has been studied using high-resolution synchrotron radiation and electron spectrometry. The core-level energy Shift between the terminal and central carbon atoms is 0.64 eV
|
|
