| 1. |
- Itala, E, et al.
(författare)
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Molecular fragmentation of pyrimidine derivatives following site-selective carbon core ionization
- 2011
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Ingår i: Journal of Electron Spectroscopy and Related Phenomena. - : Elsevier BV. - 0368-2048 .- 1873-2526. ; 184:3-6, s. 119-124
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Tidskriftsartikel (refereegranskat)abstract
- Ionization-site-dependent fragmentation of three cyclic biomolecules - uracil, 5-bromouracil and thymine - has been studied using electron-energy-resolved photoelectronphotoion-photoion coincidence spectroscopy. Previous studies concerning ionization site dependent fragmentation have mainly been carried out with linear molecules. The results reported here show that all studied molecules have dicationic fragmentation channels whose intensity depends on the initial core-ionization site, although these channels cover only a relatively small fraction of the total fragment yield. The present study shows on one hand, that it is often the surrounding bond(s) of the ionized atom that will break following the initial core ionization, and on the other hand, that some specific fragmentation channels can display strong site-dependency where there is no direct correlation between the ionization site and the bond breakage locations.
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| 2. |
- Kokko, K., et al.
(författare)
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Atomistic study of surfaces and interfaces of Fe-Cr and Fe-Cr-Al alloys
- 2013
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Ingår i: Physical and numerical simulation of materials processing VII. - : Trans Tech Publications Inc.. - 9783037857281 ; , s. 728-733
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Konferensbidrag (refereegranskat)abstract
- Surface and interface properties of Fe-Cr, Fe-Al, and Fe-Cr-Al are studied using Exact Muffin-Tin Orbitals and Monte Carlo methods and with x-ray photoelectron and Auger electron techniques. Surface composition is investigated as a function of oxidation (heating) time. Hard x ray photoelectron spectroscopy (HAXPES) is used to scan non destructively the compositions below the surface. It is found that Cr boosts the Al segregation to the surface.
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| 3. |
- Kukk, E., et al.
(författare)
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Formative period in the x-ray-induced photodissociation of organic molecules
- 2021
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Ingår i: Physical Review Research. - 2643-1564. ; 3:1
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Tidskriftsartikel (refereegranskat)abstract
- Absorption of x-ray photons by atomic inner shells of light-element organics and biomolecules often leads to formation of dicationic electronic states and to molecular fragmentation. We investigated the x-ray-induced dissociation landscape of a representative medium-sized organic molecule, thiophene, by femtosecond x-ray pulses from the Super Photon Ring-8 GeV (SPring-8) Angstrom Compact Free-Electron Laser (SACLA). Holes, created in the sulfur 2p orbital by photoemission, were filled by the Auger process that created dicationic molecular states within a broad range of internal energies—a starting point particular to x-ray-induced dynamics. The evolution of the ionized molecules was monitored by a pump-probe experiment using a near-infrared (800 nm) laser pulse. Ion-ion coincidence and ion momentum analysis reveals enhanced yields of ionic fragments from multibody breakup of the ring, attributed to additional ionization of the highly excited fraction of the dicationic parent molecular states. The transient nature of the enhancement and its decay with about a 160-fs time constant indicate formation of an open-ring parent geometry and the statistical survival time of the parent species before the dissociation events. By probing specific Auger final states of transient, highly excited nature by near-infrared light, we demonstrate how pump-probe signatures can be related to the key features in dynamics during the early period of the x-ray-induced damage of organic molecules and biomolecules.
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| 4. |
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| 5. |
- 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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| 6. |
- AKSELA, H, et al.
(författare)
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PARTIAL AUGER DECAY-RATES OF CORE-IONIZED MOLECULAR-STATES IN HCL AND DCL
- 1995
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Ingår i: JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS. - : IOP PUBLISHING LTD. - 0953-4075. ; 28:19, s. 4259-4268
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Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)abstract
- The Cl 2p ionization and the subsequent 2p(-1) --> 2 pi(-2) Auger decay in HCl and DCl molecules have been studied using synchrotron radiation. The Anger spectra have been decomposed and assigned to the transitions from the (2) Pi(1/2), (2) Sigma(1/2) and
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| 7. |
- Fukuzawa, H., et al.
(författare)
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Deep Inner-Shell Multiphoton Ionization by Intense X-Ray Free-Electron Laser Pulses
- 2013
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Ingår i: Physical Review Letters. - 1079-7114 .- 0031-9007. ; 110:17
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Tidskriftsartikel (refereegranskat)abstract
- We have investigated multiphoton multiple ionization dynamics of xenon atoms using a new x-ray free-electron laser facility, SPring-8 Angstrom Compact free electron LAser (SACLA) in Japan, and identified that Xen+ with n up to 26 is produced at a photon energy of 5.5 keV. The observed high charge states (n >= 24) are produced via five-photon absorption, evidencing the occurrence of multiphoton absorption involving deep inner shells. A newly developed theoretical model, which shows good agreement with the experiment, elucidates the complex pathways of sequential electronic decay cascades accessible in heavy atoms. The present study of heavy-atom ionization dynamics in high-intensity hard-x-ray pulses makes a step forward towards molecular structure determination with x-ray free-electron lasers. DOI: 10.1103/PhysRevLett.110.173005
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| 8. |
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| 9. |
- Ha, Dang Trinh, et al.
(författare)
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Fragmentation Dynamics of Doubly Charged Methionine Phase
- 2014
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Ingår i: Journal of Physical Chemistry A. - : American Chemical Society (ACS). - 1089-5639 .- 1520-5215. ; 118:8, s. 1374-1383
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Tidskriftsartikel (refereegranskat)abstract
- The dependence of the fragmentation of doubly charged gas-phase methionine (C5H11NO2S) on the electronic-state character of the parent ion is studied experimentally by energy-resolved electron ion-ion coincidence spectroscopy. The parent dication electronic states are populated by Auger transitions following site-specific sulfur 2p core ionization. Two fragmentation channels are observed to be strongly dependent on the electronic states with vacancies in weakly bound molecular orbitals. All-electron calculations are applied to assign doubly charged final states of sulfur 2p core ionized methionine. In addition, the Car-Parrinello method is applied to model fragmentation dynamics of doubly charged methionine molecules with various initial temperatures to understand the typical characteristics of the molecular dissociation and partly to support the interpretation of experimental data.
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| 10. |
- Itala, E., et al.
(författare)
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A comparative study of dissociation of thymidine molecules following valence or core photoionization
- 2013
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Ingår i: Journal of Physics B. - : IOP Publishing. - 0953-4075 .- 1361-6455. ; 46:21, s. 215102-
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Tidskriftsartikel (refereegranskat)abstract
- We have studied the fragmentation of gas phase thymidine following valence and core ionization using synchrotron radiation, combined with electron energy and ion mass resolved detection in coincidence. To identify certain fragment masses C-13 labelled thymidine was also used. We find that in large part, the photofragmentation of thymidine can be described as separated thymine and 2-deoxy-D-ribose cations. However, also the intact thymidine radical cation, formation of intact base and sugar cations from glycosidic bond cleavage and several new thymidine-specific fragments are observed after valence ionization. Conversely, at the photoionization of C 1s electrons neither parent thymidine cations nor any fragments above 55 amu were detected, and only ion pairs with small masses survive core ionization, Auger decay and the subsequent Coulomb separation of the DNA sub-unit. This demonstrates the genotoxic nature of soft x-rays which in cells induce complex clustered damage similar to those yielded by heavy particles.
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