The ESCA molecule—Historical remarks and new results

Travnikova, Oksana; Børve, Knut J.; Patanen, Minna; Söderström, Johan; Miron, Catalin; Sæthre, Leif J.; Mårtensson, Nils; Svensson, S.

doi:10.1016/j.elspec.2012.05.009

Cited by 48 publications

(96 citation statements)

References 18 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The absolute binding energy is 291.2 eV. 42 The binding energy of the methylene carbon atom (C2) is shifted to higher energies by 1.72 eV. The binding energies in the carboxylate (C3) and trifluoromethyl (C4) groups are shifted to even higher binding energies, namely, 4.33 and 7.46 eV, respectively.…”

Section: A the C 1s Shifts In The Esca Moleculementioning

confidence: 95%

“…This result is in agreement with a previous report using B3LYP (another hybrid functional) and an implementation of DFT with local basis functions. 42 In order to understand the reason for the improved agreement, the initial state contribution is analyzed within the electrostatic V model. The initial state contribution is in both functionals the major part of the CLS.…”

Section: A the C 1s Shifts In The Esca Moleculementioning

confidence: 99%

See 1 more Smart Citation

Effects of non-local exchange on core level shifts for gas-phase and adsorbed molecules

Bossche

Martin

Gustafson

et al. 2014

The Journal of Chemical Physics

View full text Add to dashboard Cite

show abstract

Section: A the C 1s Shifts In The Esca Moleculementioning

confidence: 95%

Section: A the C 1s Shifts In The Esca Moleculementioning

confidence: 99%

Effects of non-local exchange on core level shifts for gas-phase and adsorbed molecules

Bossche

Martin

Gustafson

et al. 2014

The Journal of Chemical Physics

View full text Add to dashboard Cite

show abstract

“…Unfortunately the resolution around the K -1 K -1 peak (180eV kinetic energy sum of the two electrons) of about 5 eV is not sufficient to identify two peaks in the K -1 K -1 signal with the statistics we have. As in all other systems [9], above the K -1 K -1 peak we cannot M a n u s c r i p t [60].…”

Section: -K -1 K -1 Double Core Ionizationmentioning

confidence: 98%

Double core hole spectroscopy with synchrotron radiation

Penent

Nakano

Tashiro

et al. 2015

Journal of Electron Spectroscopy and Related Phenomena

View full text Add to dashboard Cite

International audienceIn the last five years, a strong experimental and theoretical activity has been dedicated to the study of inner-shell double photoionization. Almost simultaneously, between 2009 and 2011, different experiments were performed using two different light sources: well established third generation synchrotron light sources that exist for more than two decades and recently developed x-ray free electron lasers (X-FEL) that provide brightness about 10 orders of magnitude higher. The high photon flux of X-FEL has made possible the successive absorption of many x-ray photons by inner-shell electrons in femtosecond timescale. The possibility to create multiple inner-shell vacancies with this new X-FEL light source has resuscitated “prophetic” 25 years old calculations by Cederbaum et al. [1][2] concerning double K-shell ionization that could be of great interest when conventional Electron Spectroscopy for Chemical Analysis (ESCA) finds some limitations. As a feedback, this has stimulated new theoretical developments. On the other hand, it was considered practically out of reach to observe such states with conventional third generation synchrotron light sources due to the very weak probability to eject two inner-shell electrons by a single photon when the dominant process, that could mask everything else, is single inner-shell ionization. However, due to the development of very efficient detection techniques, it was also possible to perform spectroscopy of double core-hole states with excellent accuracy using third generation synchrotron sources.In this paper we give an outlook, on the basis of recently published results, of the complementary of these light sources for double core-hole spectroscopy. Some new developments and results are also presented with a prospective of what could be done in the future with the technical breakthrough that will be necessary to improve further our understanding of chemical analysis

show abstract

“…In addition, the presence of the two conformers gives additional contribution to the profile. Reprinted from Travnikova et al [7], Copyright 2012, with permission from Elsevier. multitude of vibrational states related to the various torsion modes.…”

Section: Fig 2 the C1s Core Level Photoelectron Spectrum Of Ethyl-tmentioning

confidence: 99%

“…2 a recent recording of the same spectrum is shown [7]. The spectrum was in this case obtained at SOLEIL in Paris, which is one of the most powerful third generation synchrotron radiation facilities today.…”

Section: Introductionmentioning

confidence: 99%

Electron spectroscopy using ultra brilliant synchrotron X-ray sources

Patanen

Svensson

Mårtensson

2015

Journal of Electron Spectroscopy and Related Phenomena

Self Cite

View full text Add to dashboard Cite

Electron spectroscopy using ultra brilliant synchrotron X-ray sources. Journal of Electron Spectroscopy and Related AbstractThe development of photoelectron spectroscopy since the early days of the technique is discussed. The focus is on the interaction between instrumental development and scientific achievements. In particular the opportunities provided by the increasingly brilliant synchrotron radiation sources are discussed. The contribution is focused on core level studies. The recent development is demonstrated by using selected examples obtained at today´s most advanced synchrotron radiation facilities. The spectral resolution and intensity that can be reached at these facilities reveal new effects and provide detailed information on the investigated systems. The examples are mainly taken from studies of atoms and molecules where different effects can be most accurately identified and separated.2

show abstract

The ESCA molecule—Historical remarks and new results

Cited by 48 publications

References 18 publications

Effects of non-local exchange on core level shifts for gas-phase and adsorbed molecules

Effects of non-local exchange on core level shifts for gas-phase and adsorbed molecules

Double core hole spectroscopy with synchrotron radiation

Electron spectroscopy using ultra brilliant synchrotron X-ray sources

Contact Info

Product

Resources

About