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- Céolin, D., et al.
(författare)
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Ultrafast Charge Transfer Processes Accompanying KLL Auger Decay in Aqueous KCl Solution
- 2017
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Ingår i: Physical Review Letters. - 0031-9007. ; 119:26
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Tidskriftsartikel (refereegranskat)abstract
- X-ray photoelectron and KLL Auger spectra were measured for the K+ and Cl- ions in aqueous KCl solution. While the XPS spectra of these ions have similar structures, both exhibiting only weak satellites near the main line, the Auger spectra differ dramatically. Contrary to the chloride case, a very strong extra peak was found in the Auger spectrum of K+ at the low kinetic energy side of the D1 state. Using the equivalent core model and ab initio calculations this spectral feature was assigned to electron transfer processes from solvent water molecules to the solvated cation. The observed charge transfer processes are suggested to play an important role in charge redistribution following single and multiple core-hole creation in atoms and molecules placed into environment.
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| 3. |
- Lindblad, A., et al.
(författare)
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Charge delocalization dynamics of ammonia in different hydrogen bonding environments : free clusters and in liquid water solution
- 2009
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Ingår i: Physical Chemistry, Chemical Physics - PCCP. - : Royal Society of Chemistry (RSC). - 1463-9076 .- 1463-9084. ; 11:11, s. 1758-1764
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Tidskriftsartikel (refereegranskat)abstract
- Valence and core level photoelectron spectra and Auger electron spectra of ammonia in pure clusters have been measured. The Auger electro spectra of gas-phase ammonia, pure ammonia clusters and ammonia in aqueous solution are compared and interpreted via ab initio calculations of the Auger spectrum of the ammonia monomer and dimer. The calculations reveal that the final two-hole valence states can be delocalized over both ammonia molecules. Features at energies pertaining to delocalized states involving one, or more, hydroge bonding orbitals can be found in both the ammonia cluster Auger electron spectrum and in that of the liquid solvated molecule. The lower Coulombic repulsion between two delocalized valence final state holes gives higher kinetic energy of the Auger electrons which is also observed in the spectra. This decay path-specific to the condensed phase-is responsible for more than 5% of the total cluster Auger intensity. Moreover, this interpretation is also applicable to the solid phase since the same features have been observed, but not assigned, in the Auger spectrum of solid ammonia.
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| 6. |
- Ottosson, Niklas, et al.
(författare)
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Electronic rearrangement upon the hydrolyzation of aqueous formaldehyde studied by core-electron spectroscopies
- 2008
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Ingår i: Journal of Physical Chemistry B. - : American Chemical Society (ACS). - 1520-6106 .- 1520-5207. ; 112:51, s. 16642-16646
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Tidskriftsartikel (refereegranskat)abstract
- We have combined near edge X-ray absorption fine structure (NEXAFS) spectroscopy and X-ray photoelectron spectroscopy (XPS) to study the electronic rearrangement associated with the hydrolyzation of formaldehyde to methanediol in aqueous solution. The spectra are contrasted against those of aqueous formamide and urea, which are structurally similar but do not undergo hydrolysis in solution. We have recently demonstrated that the hydrolyzation of formaldehyde is manifested in the oxygen Is NEXAFS spectrum by the disappearance of the oxygen 1s -> pi* absorption line. This is a characteristic signature that the C=O double bond has been broken. In the present study we extend our investigation to include carbon Is NEXAFS and XPS spectra of the three solutions. The carbon NEXAFS spectra show the C 1s -> pi* absorption line for each solute except for formaldehyde. Moreover, the carbon Is photoelectron spectra exhibit a single peak for each solute. These observations point to a near complete hydrolyzation of formaldehyde, whereas formamide and urea remain intact in the solution. The analysis is further supported by density functional theory (DFT) calculations, showing a C Is chemical shift of approximately 1.0 eV between hydrolyzed and nonhydrolyzed forms, which would give distinguishable features in the photoemission spectrum, if coexisting forms were present in the solutions.
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