Evidence of Single-Photon Two-Site Core Double Ionization of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi mathvariant="bold">C</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="bold">H</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:math>Molecules

Lablanquie, P.; Grozdanov, T. P.; Žitnik, M.; Carniato, S.; Selles, P.; Andrić, L.; Palaudoux, J.; Penent, F.; Iwayama, H.; Shigemasa, E.; Hikosaka, Y.; Soejima, Kazutaka; Nakano, Michio; Suzuki, Isao; Ito, Kenji

doi:10.1103/physrevlett.107.193004

Cited by 84 publications

(96 citation statements)

References 26 publications

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“…The strong chemical sensitivity of double core-hole states [20][21][22][23][24][25][26][27][28][29][30][31][32] 2]. This demonstrates that at these high charge states the rearrangement of the hydrogen electrons towards the oxygen atom is completed.…”

Section: B Molecular Effects In the Spectra At High X-ray Intensitymentioning

confidence: 99%

“…These double core-hole states have received significant attention, because in electron spectroscopy they show more sensitivity to the chemical environment than single core-holes [21][22][23][24][25][26][27][28][29][30][31][32]. Moreover, the appearance of multiple core vacancies may help to reduce the radiation damage in prospective single-molecule coherent diffractive imaging experiments because they temporarily reduce the x-ray absorption in the sample [2,33].…”

Section: Introductionmentioning

confidence: 99%

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Electron and fluorescence spectra of a water molecule irradiated by an x-ray free-electron laser pulse

et al. 2018

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With the highly intense x-ray light generated by x-ray free-electron lasers (XFELs), molecular samples can be ionized many times in a single pulse. Here we report on a computational study of molecular spectroscopy at the high x-ray intensity provided by XFELs. Calculated photoelectron, Auger electron, and x-ray fluorescence spectra are presented for a single water molecule that reaches many electronic hole configurations through repeated ionization steps. The rich details shown in the spectra depend on the x-ray pulse parameters in a nonintuitive way. We discuss how the observed trends can be explained by the competition of microscopic electronic transition processes. A detailed comparison between spectra calculated within the independent-atom model and within the molecular-orbital framework highlights the chemical sensitivity of the spectral lines of multiple-hole configurations. Our results demonstrate how x-ray multiphoton ionization-related effects such as charge-rearrangement-enhanced x-ray ionization of molecules and frustrated absorption manifest themselves in the electron and fluorescence spectra.

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Section: B Molecular Effects In the Spectra At High X-ray Intensitymentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Electron and fluorescence spectra of a water molecule irradiated by an x-ray free-electron laser pulse

et al. 2018

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“…[13][14][15][16] and references therein) or shake-off states and their energies and decay processes are hitherto unknown. At even higher energies it becomes possible to create a double vacancy in the core, that is, in the present context, a hollow molecule with no electrons left in the 1s orbital [17][18][19][20][21][22][23][24][25][26][27][28]. States of this sort are so far unknown in water, but certainly of interest and possibly significant.…”

Section: Introductionmentioning

confidence: 99%

Formation and decay of core-orbital vacancies in the water molecule

Mucke

Eland

Takahashi

et al. 2013

Chemical Physics Letters

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Formation and decay of core-orbital vacancies in the water molecule.Chemical Physics Letters, http://dx.doi.org/10.1016/j.cplett. 2012.11.094 Access to the published version may require subscription. N.B. When citing this work, cite the original published paper. and 110 eV. Nuclear motion in these states competes with Auger decay and substantially modifies the final state spectra. The double core-hole state from ionisation of both 1s electrons is found at 1171±1 eV and calculated at 1170.85 eV.

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“…Refs. [27][28][29][30]) because of the coulomb repulsion. Secondly, the electrons taking part in the Auger effect come from orbitals with greatest density at the core-hole site; generally the bond weakening upon their loss will also be located in the same vicinity.…”

Section: Introductionmentioning

confidence: 99%

Homonuclear site-specific photochemistry by an ion–electron multi-coincidence spectroscopy technique

Eland

Linusson

Mucke

et al. 2012

Chemical Physics Letters

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PostprintThis is the accepted version of a paper published in Chemical Physics Letters. This paper has been peerreviewed but does not include the final publisher proof-corrections or journal pagination.Citation for the original published paper (version of record):Eland, J H., Linusson, P., Mucke, M., Feifel, R. (2012) Homonuclear site-specific photochemistry by an ion-electron multi-coincidence spectroscopy technique. Abstract By combining multi-particle coincidence detection of electrons and ions with ionization by soft X-ray synchrotron radiation we demonstrate an effective tool for atomic spectroscopy and sitespecific photochemistry. Its most novel capability is application to molecular fragmentation after K-shell vacancy production in atoms distinguished only by their chemical environment. Chemical Physics Letters

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Evidence of Single-Photon Two-Site Core Double Ionization ofC2H2Molecules

Cited by 84 publications

References 26 publications

Electron and fluorescence spectra of a water molecule irradiated by an x-ray free-electron laser pulse

Electron and fluorescence spectra of a water molecule irradiated by an x-ray free-electron laser pulse

Formation and decay of core-orbital vacancies in the water molecule

Homonuclear site-specific photochemistry by an ion–electron multi-coincidence spectroscopy technique

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