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Influence of Selective Carbon 1s Excitation on Auger-Meitner Decay in the ESCA Molecule.
- Source :
-
The journal of physical chemistry letters [J Phys Chem Lett] 2024 Apr 25; Vol. 15 (16), pp. 4286-4293. Date of Electronic Publication: 2024 Apr 12. - Publication Year :
- 2024
-
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 CF <subscript>3</subscript> 1s → σ* resonances unlike excitation at resonances involving the CH <subscript>3</subscript> and CH <subscript>2</subscript> sites. The CF <subscript>3</subscript> 1s → π* and CF <subscript>3</subscript> 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.
Details
- Language :
- English
- ISSN :
- 1948-7185
- Volume :
- 15
- Issue :
- 16
- Database :
- MEDLINE
- Journal :
- The journal of physical chemistry letters
- Publication Type :
- Academic Journal
- Accession number :
- 38608168
- Full Text :
- https://doi.org/10.1021/acs.jpclett.3c03611