| 1. |
- 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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| 2. |
- Patanen, M., et al.
(författare)
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High-resolution study of K 3p photoabsorption and resonant Auger decay in KF
- 2009
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Ingår i: Physical Review A (Atomic, Molecular and Optical Physics). - 1050-2947. ; 80:1
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Tidskriftsartikel (refereegranskat)abstract
- High-resolution (K3p sigma and pi)->sigma absorption spectrum of KF in the photon energy range of 18.2-19.4 eV was measured at the new FINEST beamline branch on the I3 beamline on MAX III. The experimental spectrum is presented and interpreted using nonrelativistic ab initio molecular calculations corrected with perturbation theory treatment to account for spin-orbit interaction. Resonant Auger decay recorded at the strongest resonances is also presented and reproduced by theoretical calculations. Also a brief introduction to the FINEST beamline branch is presented.
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| 3. |
- Carniato, S., et al.
(författare)
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Hybrid density-functional theory calculations of near-edge x-ray absorption fine-structure spectra : Applications on benzonitrile in gas phase
- 2005
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Ingår i: Physical Review A. Atomic, Molecular, and Optical Physics. - 1050-2947 .- 1094-1622. ; 71:2
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Tidskriftsartikel (refereegranskat)abstract
- The experimental N(1s) near-edge x-ray-absorption fine-structure spectrum of the benzonitrile molecule in the gas phase shows well separated double peaks with different vibrational profiles. Hybrid density-functional theory calculations reveal that such a separation is a result of the conjugation effect on the nitrogen 2p orbitals and the double spectral peaks can be assigned as the N(1s)-pi* out-of-plane and in-plane resonances. The vibrational profiles have been analyzed using a combined transition state theory and linear coupling model. Each profile consists of two different vibrational progressions corresponding to stretching modes and a broad continuum of bending excited states. The use of transition state theory allows identifying the dynamics of the N 1s core excitation. It is found that upon core excitations the C-N bond of the benzonitrile molecule can go from initial linear to final bent structures through different paths. The calculated spectrum is in excellent agreement with experiment.
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| 4. |
- Kukk, E., et al.
(författare)
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Electronic state dependence in the dissociation of core-ionized methane
- 2007
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Ingår i: Journal of Physics B. - : IOP Publishing. - 0953-4075 .- 1361-6455. ; 40:18, s. 3677-3692
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Tidskriftsartikel (refereegranskat)abstract
- Methane and deuteromethane molecules were core ionized using synchrotron radiation, and the ionic fragments from the molecular dissociation were detected in coincidence with the Auger electrons. The electron - ion coincidence spectra are analysed in terms of partial ion yields and ion kinetic energy distributions, both as functions of electron kinetic energy. The dependence of the fragmentation patterns on the electronic character of the Auger final states as well as on the excess energy available for dissociating the molecule is studied. The analysis reveals marked differences in the dissociation of the 2a(1)(-2) and 2a(1)(-1) 1t(2)(-1) states, interpreted as an `excess- energy- dependent' concerted dissociation process for the 2a(1)(-2) state and an ` electronic- state- dependent' sequential process for the 2a(1)(-1) 1t(2)(-1) state.
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| 5. |
- Sankari, R, et al.
(författare)
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High resolution O 1s photoelectron shake-up satellite spectrum of H2O
- 2006
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Ingår i: Chemical Physics Letters. - : Elsevier BV. - 0009-2614. ; 422:1-3, s. 51-57
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Tidskriftsartikel (refereegranskat)abstract
- The O 1s photoelectron satellite spectrum of water has been recorded with high resolution and some vibrational structures were detected. The electronic and vibrational structures observed in the experimental spectrum are well interpreted with the aid of the molecular ab initio calculations based on the symmetry adapted cluster-configuration interaction (SAC-CI) method. (c) 2006 Elsevier B.V. All rights reserved.
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| 6. |
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| 7. |
- Schulz, Joachim, et al.
(författare)
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Shakedown in core photoelectron spectra from aligned laser-excited Na atoms
- 2005
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Ingår i: Physical Review A (Atomic, Molecular and Optical Physics). - 1050-2947. ; 72:1
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Tidskriftsartikel (refereegranskat)abstract
- In an experiment combining a state-of-the-art visible laser system with the vacuum ultraviolet beamline I411 at the storage ring MAX II, shakedown satellite lines in the 2p photoelectron emission of excited Na atoms have been observed. A close investigation of these lines shows a strong dependency of the line intensities from the linear polarization angle of the laser light. The shakedown electrons are preferably emitted into the direction of the laser electric field vector.
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| 8. |
- Urpelainen, S., et al.
(författare)
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Valence photoionization and the following fragmentation pathways in Sb-4 clusters
- 2009
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Ingår i: Physical Review A. Atomic, Molecular, and Optical Physics. - 1050-2947 .- 1094-1622. ; 80:4, s. 043201-
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Tidskriftsartikel (refereegranskat)abstract
- The valence photoelectron spectrum of Sb-4 clusters and the following fragmentation patterns have been studied using synchrotron radiation and electron-ion coincidence technique. An experimental photoelectron spectrum of the 5t(2) ionization of Sb-4 is presented. Theoretical molecular calculations, together with the existing data on the noble gas xenon, were used to describe the experimental results. The bonding properties of the molecular orbitals involved are used to qualitatively describe the dissociation process.
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