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Influence of Selective Carbon 1s Excitation on Auger–Meitner Decay in the ESCA Molecule

Fouda, Adam ; Lindblom, Ville LU orcid ; Southworth, Stephen H. ; Doumy, Gilles ; Ho, Phay ; Young, Linda ; Cheng, Lan and Sorensen, Stacey L LU orcid (2024) In Journal of Physical Chemistry Letters 15(16). p.4286-4293
Abstract
Two-dimensional spectral mapping is used to visualize how resonant Auger–Meitner spectra are influenced by the site of the initial core–electron excitation and the symmetry of the core-excited state in the trifluoroethyl acetate molecule (ESCA). We observe a significant enhancement of electron yield for excitation of the COO 1s → π* and CF3 1s → σ* resonances unlike excitation at resonances involving the CH3 and CH2 sites. The CF3 1s → π* and CF3 1s → σ* resonance spectra are very different from each other, with the latter populating most valence states equally. Two complementary electronic structure calculations for the photoelectron cross section and Auger–Meitner intensity are shown to effectively reproduce the site- and state-selective... (More)
Two-dimensional spectral mapping is used to visualize how resonant Auger–Meitner spectra are influenced by the site of the initial core–electron excitation and the symmetry of the core-excited state in the trifluoroethyl acetate molecule (ESCA). We observe a significant enhancement of electron yield for excitation of the COO 1s → π* and CF3 1s → σ* resonances unlike excitation at resonances involving the CH3 and CH2 sites. The CF3 1s → π* and CF3 1s → σ* resonance spectra are very different from each other, with the latter populating most valence states equally. Two complementary electronic structure calculations for the photoelectron cross section and Auger–Meitner intensity are shown to effectively reproduce the site- and state-selective nature of the resonant enhancement features. The site of the core–electron excitation and the respective final state hole locality increase the sensistivity of the photoelectron signal at specific functional group sites. This showcases resonant Auger–Meitner decay as a potentially powerful tool for selectively probing structural changes at specific functional group sites of polyatomic molecules. (Less)
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author
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organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Journal of Physical Chemistry Letters
volume
15
issue
16
article number
8
pages
4286 - 4293
publisher
The American Chemical Society (ACS)
external identifiers
  • pmid:38608168
  • scopus:85190880593
ISSN
1948-7185
DOI
10.1021/acs.jpclett.3c03611
language
English
LU publication?
yes
id
ddc7fd9e-1391-4b92-818d-a8df2751b402
date added to LUP
2024-06-19 16:38:53
date last changed
2024-06-20 15:17:18
@article{ddc7fd9e-1391-4b92-818d-a8df2751b402,
  abstract     = {{Two-dimensional spectral mapping is used to visualize how resonant Auger–Meitner spectra are influenced by the site of the initial core–electron excitation and the symmetry of the core-excited state in the trifluoroethyl acetate molecule (ESCA). We observe a significant enhancement of electron yield for excitation of the COO 1s → π* and CF3 1s → σ* resonances unlike excitation at resonances involving the CH3 and CH2 sites. The CF3 1s → π* and CF3 1s → σ* resonance spectra are very different from each other, with the latter populating most valence states equally. Two complementary electronic structure calculations for the photoelectron cross section and Auger–Meitner intensity are shown to effectively reproduce the site- and state-selective nature of the resonant enhancement features. The site of the core–electron excitation and the respective final state hole locality increase the sensistivity of the photoelectron signal at specific functional group sites. This showcases resonant Auger–Meitner decay as a potentially powerful tool for selectively probing structural changes at specific functional group sites of polyatomic molecules.}},
  author       = {{Fouda, Adam and Lindblom, Ville and Southworth, Stephen H. and Doumy, Gilles and Ho, Phay and Young, Linda and Cheng, Lan and Sorensen, Stacey L}},
  issn         = {{1948-7185}},
  language     = {{eng}},
  month        = {{04}},
  number       = {{16}},
  pages        = {{4286--4293}},
  publisher    = {{The American Chemical Society (ACS)}},
  series       = {{Journal of Physical Chemistry Letters}},
  title        = {{Influence of Selective Carbon 1s Excitation on Auger–Meitner Decay in the ESCA Molecule}},
  url          = {{http://dx.doi.org/10.1021/acs.jpclett.3c03611}},
  doi          = {{10.1021/acs.jpclett.3c03611}},
  volume       = {{15}},
  year         = {{2024}},
}