| 1. |
- Hult Roos, Andreas, et al.
(author)
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Abundance of molecular triple ionization by double Auger decay
- 2018
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In: Scientific Reports. - : Springer Science and Business Media LLC. - 2045-2322. ; 8
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Journal article (peer-reviewed)abstract
- Systematic measurements of electron emission following formation of single 1s or 2p core holes in molecules with C, O, F, Si, S and Cl atoms show that overall triple ionization can make up as much as 20% of the decay. The proportion of triple ionization is observed to follow a linear trend correlated to the number of available valence electrons on the atom bearing the initial core hole and on closest neighbouring atoms, where the interatomic distance is assumed to play a large role. The amounts of triple ionization (double Auger decay) after 1s or 2p core hole formation follow the same linear trend, which indicates that the hole identity is not a crucial determining factor in the number of electrons emitted. The observed linear trend for the percentage of double Auger decay follows a predictive line equation of the form DA = 0.415 · Nve + 5.46.
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| 2. |
- Koulentianos, Dimitris, 1987, et al.
(author)
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Double-core-hole states in CH3CN: Pre-edge structures and chemical-shift contributions
- 2018
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In: Journal of Chemical Physics. - : AIP Publishing. - 0021-9606 .- 1089-7690. ; 149
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Journal article (peer-reviewed)abstract
- Spectra reflecting the formation of single-site double-core-hole pre-edge states involving the N 1s and C 1s core levels of acetonitrile have been recorded by means of high-resolution single-channel photoelectron spectroscopy using hard X-ray excitation. The data are interpreted with the aid of ab initio quantum chemical calculations, which take into account the direct or conjugate nature of this type of electronic states. Furthermore, the photoelectron spectra of N 1s and C 1s singly core-ionized states have been measured. From these spectra, the chemical shift between the two C 1s(-1) states is estimated. Finally, by utilizing C 1s single and double core-ionization potentials, initial and final state effects for the two inequivalent carbon atoms have been investigated. Published by AIP Publishing.
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| 3. |
- Koulentianos, Dimitris, 1987, et al.
(author)
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KL double core hole pre-edge states of HCl
- 2018
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In: Physical Chemistry Chemical Physics. - : Royal Society of Chemistry (RSC). - 1463-9076 .- 1463-9084. ; 20:4
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Journal article (peer-reviewed)abstract
- The formation of double core hole pre-edge states of the form $1s^{-1}2p^{-1}(^{1,3}\text{P})\sigmaup^*,n\ell$ for HCl, located on the binding energy scale as deep as 3 keV, has been investigated by means of a high resolution single channel electron spectroscopy technique recently developed for the hard x-ray region. A detailed spectroscopic assignment is performed based on \textit{ab initio} quantum chemical calculations and by using a sophisticated fit model comprising regular Rydberg series. Quantum defects for the different Rydberg series are extracted and the energies for the associated double core hole ionization continua are extrapolated. Dynamical information such as the lifetime width of these double-core-hole pre-edge states and the slope of the related dissociative potential energy curves are also obtained. In addition, $1s^{-1}2p^{-1}V^{-1}n\ell\lambdaup n^{\prime}\ell^{\prime}\lambdaup^{\prime}$ double shake-up transitions and double core hole states of the form $1s^{-1}2s^{-1}(^{1,3}\text{S})\sigmaup^*,4s$ are observed.
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| 4. |
- Marchenko, T., et al.
(author)
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Ultrafast nuclear dynamics in the doubly-core-ionized water molecule observed via Auger spectroscopy
- 2018
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In: Physical Review A. - : AMER PHYSICAL SOC. - 2469-9926 .- 2469-9934. ; 98:6
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Journal article (peer-reviewed)abstract
- We present a combined experimental and theoretical study of the Auger-emission spectrum following double core ionization and excitation of gas-phase water molecules with hard-x-ray synchrotron radiation above the O K-2 threshold. We observe an indication of ultrafast proton motion occurring within the 1.5 fs lifetime of the double-core-hole (DCH) states in water. Furthermore, we have identified symmetric and antisymmetric dissociation modes characteristic for particular DCH states. Our results serve as a fundamental reference for state-of-the-art studies of DCH dynamic processes in liquid water both at synchrotron and free-electron-laser facilities.
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