Influence of Selective Carbon 1s Excitation on Auger–Meitner Decay in the ESCA Molecule
(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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https://lup.lub.lu.se/record/ddc7fd9e-1391-4b92-818d-a8df2751b402
- author
- Fouda, Adam
; Lindblom, Ville
LU
; Southworth, Stephen H. ; Doumy, Gilles ; Ho, Phay ; Young, Linda ; Cheng, Lan and Sorensen, Stacey L LU
- organization
- publishing date
- 2024-04-24
- 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}}, }