| 1. |
- de Jong, Michel P, et al.
(författare)
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Femtosecond charge transfer in assemblies of discotic liquid crystals
- 2008
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Ingår i: The Journal of Physical Chemistry C. - : American Chemical Society (ACS). - 1932-7447 .- 1932-7455. ; 112:40, s. 15784-15790
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Tidskriftsartikel (refereegranskat)abstract
- The electronic coupling strength within columns of discotic liquid crystals is investigated using core-level resonant photoemission spectroscopy. Coexisting well-ordered and disordered regions are identified in thin films of tetra-alkoxy-substituted phthalocyanines with the aid of near edge X-ray absorption fine structure and photoelectron spectroscopies. These different regions are used to derive a lower limit for the intermolecular charge transfer bandwidth within the framework of the core-hole clock principle. We find average charge transfer times on the order of a few femtoseconds, that is, significantly faster than the C(ls) core-hole lifetime, which indicates a surprisingly strong electronic coupling between the phthalocyanine units as compared to what is expected from the charge transport characteristics of this material. © 2008 American Chemical Society.
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| 2. |
- de Jong, Michel P, 1970-, et al.
(författare)
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Orbital-specific dynamic charge transfer from Fe(II)-tetraphenylporphyrin molecules to molybdenum disulfide substrates
- 2005
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Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 72:3, s. 35448-
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Tidskriftsartikel (refereegranskat)abstract
- Orbital-specific femtosecond charge transfer dynamics between Fe(II)-tetraphenylporphyrin molecules and semimetallic molybdenum disulfide substrates is investigated using core-level resonant photoemission spectroscopy. The electronic coupling to the substrate and the efficiency of charge transport across the interface is found to be different for the individual molecular electronic subsystems. In particular, electrons excited at the phenyl substituents are transferred within 3–6 fs, while hopping from the porphyrin ring is slower than 30 fs.
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| 3. |
- Fink, Reinhold, et al.
(författare)
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Specific production of very long-lived core-excited sulfur atoms by 2p(-1)sigma* excitation of the OCS molecule followed by ultrafast dissociation
- 2006
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Ingår i: Journal of Physics B. - 0953-4075 .- 1361-6455. ; 39:12, s. L269-L275
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Tidskriftsartikel (refereegranskat)abstract
- A core-excited sulfur state with a lifetime almost one order of magnitude longer than in molecular 2p core-hole states is selectively produced by ultrafast dissociation of S 2p -> sigma* excited OCS. Clear evidence for this is provided by strong atomic peaks (20% of the total intensity) in x-ray fluorescence but very weak ones (2%) in the corresponding resonant Auger spectrum. Corroborating the assignment of the spectra, ab initio calculations explain the enhanced lifetime: the Auger decay of the produced D-3(3) (2p(5)3p(5)) sulfur state is strongly decreased as it contradicts a newly derived propensity rule of the L2,3MM Auger decay.
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| 4. |
- J Doherty, Walter, et al.
(författare)
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Selective hydrogen bond disruption in adenine monolayer films by reaction with water
- 2009
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Ingår i: Journal of Electron Spectroscopy and Related Phenomena. - : Elsevier BV. - 0368-2048. ; 174:1-3, s. 107-109
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Tidskriftsartikel (refereegranskat)abstract
- High-resolution X-ray photoelectron spectroscopy of two-dimensional films of adenine on a highly oriented pyrolitic graphite [0 0 0 1] surface reveal bonding changes induced by exposure to water. The hydrogen-bond interactions between adenine molecules were replaced by adenine-water hydrogen bonds in a stepwise pattern. This reaction destroyed the film network and changed the chemical state of the nitrogen sites. The reaction with water molecules affected both the donor and acceptor states of the oxygen atoms, as compared to those in water. (C) 2009 Elsevier B.V. All rights reserved.
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| 5. |
- Osikowicz, Wojciech, 1974-, et al.
(författare)
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Site-specific electronic structure of an oligo-ethylenedioxythiophene derivative probed by resonant photoemission
- 2005
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Ingår i: New Journal of Physics. - : IOP Publishing. - 1367-2630. ; 7
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Tidskriftsartikel (refereegranskat)abstract
- A combination of conventional and resonant photoemission spectroscopy, x-ray absorption spectroscopy and ground-state quantum-chemical calculations has been used to study the valence electronic structure of a phenyl-capped 3,4-ethylenedioxythiophene oligomer, in polycrystalline thin films. The photon energy-dependent intensities of specific resonant decay channels are interpreted in terms of the spatial overlap of the excitation site and the ground-state molecular orbital involved in the decay. By making use of chemical shifts, excitations on different atomic sites are distinguished. It is demonstrated that site-specific information on the electronic structure of relatively large and complex organic systems may be obtained experimentally from non-radiative resonant decay spectra. In addition, these spectra provide relevant insight into the interpretation of near-edge x-ray absorption fine structure spectra. © IOP Publishing Ltd and Deutsche Physikalische Gesellschaft.
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| 6. |
- Öhrwall, Gunnar, et al.
(författare)
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The electronic structure of free water clusters probed by Auger electron spectroscopy
- 2005
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Ingår i: Journal of Chemical Physics. - : AIP Publishing. - 0021-9606 .- 1089-7690. ; 123, s. 054310-
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Tidskriftsartikel (refereegranskat)abstract
- (H2O)(N) clusters generated in a supersonic expansion source with N similar to 1000 were core ionized by synchrotron radiation, giving rise to core-level photoelectron and Auger electron spectra (AES), free from charging effects. The AES is interpreted as being intermediate between the molecular and solid water spectra showing broadened bands as well as a significant shoulder at high kinetic energy. Qualitative considerations as well as ab initio calculations explain this shoulder to be due to delocalized final states in which the two valence holes are mostly located at different water molecules. The ab initio calculations show that valence hole configurations with both valence holes at the core-ionized water molecule are admixed to these final states and give rise to their intensity in the AES. Density-functional investigations of model systems for the doubly ionized final states-the water dimer and a 20-molecule water cluster-were performed to analyze the localization of the two valence holes in the electronic ground states. Whereas these holes are preferentially located at the same water molecule in the dimer, they are delocalized in the cluster showing a preference of the holes for surface molecules. The calculated double-ionization potential of the cluster (22.1 eV) is in reasonable agreement with the low-energy limit of the delocalized hole shoulder in the AES.
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