| 1. |
- Abu-samha, M, et al.
(författare)
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The local structure of small water clusters : imprints on the core-level photoelectron spectrum
- 2009
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Ingår i: Journal of Physics B. - : IOP Publishing. - 0953-4075 .- 1361-6455. ; 42:5, s. 055201-
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Tidskriftsartikel (refereegranskat)abstract
- We report on an O 1s photoelectron-spectroscopy study of small neutral water clusters produced by adiabatic expansion. The photoelectron spectra were acquired under two different experimental conditions. At intermediate resolution, the cluster signal was characterized by a very broad O 1s peak with a flat top. In the second set of measurements, resolution was significantly increased at the cost of lower count rates. The cluster signal was now partly resolved into a bimodal structure. Extensive theoretical calculations were undertaken to facilitate an interpretation of the spectrum. These results suggest that the bimodal feature may be ascribed to ionization of water molecules in different hydrogen-bonding configurations, more specifically, molecules characterized by donation of either one or both hydrogen atoms in H-bonding.
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| 2. |
- Bergersen, Henrik, et al.
(författare)
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First observation of vibrations in core-level photoelectron spectra of free neutral molecular clusters
- 2006
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Ingår i: Chemical Physics Letters. - : Elsevier BV. - 0009-2614 .- 1873-4448. ; 429:1-3, s. 109-113
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Tidskriftsartikel (refereegranskat)abstract
- Core-level photoelectron spectra of free neutral methane clusters have been recorded. These spectra exhibit well-resolved surface and bulk features as well as vibrational fine structure. The vibrational structure in the cluster signal is well reproduced by a theoretical model that assumes independent contributions from inter- and intramolecular modes. The intramolecular contribution to the vibrational line-shape is taken to be equal to that of the monomer in the gas phase, while the intermolecular part is simplified to line broadening. An estimate of the cluster size has been made on the basis of the observed surface-to-bulk intensity ratio.
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| 3. |
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| 4. |
- Harnes, J., et al.
(författare)
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Size of Free Neutral CO(2) Clusters from Carbon 1s Ionization Energies
- 2011
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Ingår i: Journal of Physical Chemistry A. - : American Chemical Society (ACS). - 1089-5639 .- 1520-5215. ; 115:38, s. 10408-10415
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Tidskriftsartikel (refereegranskat)abstract
- Free neutral CO(2) clusters were produced by adiabatic expansion and characterized by carbon 1s (C1s) photoelectron spectroscopy using synchrotron radiation. The shift in C1s ionization energy (IE) between the cluster and the monomer, i.e., Delta IE = IE(cluster) - IE(monomer), was found to vary systematically with the experimental conditions. A functional relationship is established between the mean cluster size in the beam, < N >, and Delta IE, in good agreement with theoretical calculations of shifts in ionization energy for model clusters. This makes it possible to use core-level photoelectron spectroscopy to monitor the mean cluster size and also to estimate < N > from expansion conditions.
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| 5. |
- Harnes, J., et al.
(författare)
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The structure of mixed methanol/chloroform clusters from core-level photoelectron spectroscopy and modeling
- 2011
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Ingår i: New Journal of Chemistry. - : Royal Society of Chemistry (RSC). - 1144-0546 .- 1369-9261. ; 35:11, s. 2564-2572
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Tidskriftsartikel (refereegranskat)abstract
- Mixed neutral molecular clusters have been produced by co-expansion of chloroform and methanol and characterized by carbon 1s photoelectron spectroscopy and theoretical modeling. The produced clusters are in the range 50-150 molecules and the clusters are not homogeneously mixed: chloroform is enriched in the bulk and methanol is found on or close to the surface. This is based on evidence from photoelectron depth profiling and molecular dynamics simulations of mixed clusters. The simulations suggest that methanol forms cyclic or linear oligomers in the surface layers of the mixed clusters. From thermodynamic models, the enrichment of methanol on the cluster surface can be rationalized from the difference in surface tension between the two pure components, which is connected to the qualitative differences in the respective bonding patterns.
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| 6. |
- Thomas, T.D., et al.
(författare)
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Photoelectron-recoil-induced rotational excitation of the B 2 state in N2
- 2009
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Ingår i: Physical Review A. Atomic, Molecular, and Optical Physics. - 1050-2947 .- 1094-1622. ; 79:022506
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Tidskriftsartikel (refereegranskat)abstract
- In the photoelectron spectrum of N-2 the apparent ionization energy to form the B (2)Sigma(+)(u) state increases linearly with the photon energy. Rotationally resolved measurements of the fluorescent decay of this state show a linear increase of rotational heating with increasing photon energy. These results are in quantitative agreement with the prediction of the theory of recoil-induced rotational excitation, indicating that the rotational heating that has been observed previously arises primarily from such recoil-induced excitation. Together with other results that have been reported they show that recoil-induced internal excitation is significant in many situations, including near threshold.
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| 7. |
- Thomas, T. D., et al.
(författare)
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Valence photoelectron spectroscopy of N-2 and CO: Recoil-induced rotational excitation, relative intensities, and atomic orbital composition of molecular orbitals
- 2010
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Ingår i: Journal of Chemical Physics. - : AIP Publishing. - 0021-9606 .- 1089-7690. ; 133:17
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Tidskriftsartikel (refereegranskat)abstract
- Recoil-induced rotational excitation accompanying photoionization has been measured for the X, A, and B states of N-2(+) and CO+ over a range of photon energies from 60 to 900 eV. The mean recoil excitation increases linearly with the kinetic energy of the photoelectron, with slopes ranging from 0.73 x 10(-5) to 1.40 x 10(-5). These slopes are generally (but not completely) in accord with a simple model that treats the electrons as if they were emitted from isolated atoms. This treatment takes into account the atom from which the electron is emitted, the molecular-frame angular distribution of the electron, and the dependence of the photoelectron cross section on photon energy, on atomic identity, and on the type of atomic orbital from which the electron is ejected. These measurements thus provide a tool for investigating the atomic orbital composition of the molecular orbitals. Additional insight into this composition is obtained from the relative intensities of the various photolines in the spectrum and their variation with photon energy. Although there are some discrepancies between the predictions of the model and the observations, many of these can be understood qualitatively from a comparison of atomic and molecular wavefunctions. A quantum-mechanical treatment of recoil-induced excitation predicts an oscillatory variation with photon energy of the excitation. However, the predicted oscillations are small compared with the uncertainties in the data, and, as a result, the currently available results cannot provide confirmation of the quantum-mechanical theory. (C) 2010 American Institute of Physics. [doi:10.1063/1.3503658]
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