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Influence of Select...
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Fouda, AdamUniversity of Chicago,Argonne National Laboratory
(författare)
Influence of Selective Carbon 1s Excitation on Auger–Meitner Decay in the ESCA Molecule
- Artikel/kapitelEngelska2024
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LIBRIS-ID:oai:lup.lub.lu.se:ddc7fd9e-1391-4b92-818d-a8df2751b402
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https://lup.lub.lu.se/record/ddc7fd9e-1391-4b92-818d-a8df2751b402URI
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https://doi.org/10.1021/acs.jpclett.3c03611DOI
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Språk:engelska
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Sammanfattning på:engelska
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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.
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Lindblom, VilleLund University,Lunds universitet,Synkrotronljusfysik,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Beräkningskemi,Enheten för fysikalisk och teoretisk kemi,Kemiska institutionen,LU profilområde: Ljus och material,Lunds universitets profilområden,Synchrotron Radiation Research,Department of Physics,Departments at LTH,Faculty of Engineering, LTH,Computational Chemistry,Physical and theoretical chemistry,Department of Chemistry,Faculty of Engineering, LTH,LU Profile Area: Light and Materials,Lund University Profile areas(Swepub:lu)vi0017li
(författare)
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Southworth, Stephen H.Argonne National Laboratory
(författare)
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Doumy, GillesArgonne National Laboratory
(författare)
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Ho, PhayArgonne National Laboratory
(författare)
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Young, LindaArgonne National Laboratory,University of Chicago
(författare)
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Cheng, LanJohns Hopkins University
(författare)
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Sorensen, Stacey LLund University,Lunds universitet,Synkrotronljusfysik,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Pufendorfinstitutet,Universitetets särskilda verksamheter,LTH profilområde: Avancerade ljuskällor,LTH profilområden,LU profilområde: Ljus och material,Lunds universitets profilområden,Synchrotron Radiation Research,Department of Physics,Departments at LTH,Faculty of Engineering, LTH,Pufendorf Institute for Advanced Studies,University Specialised Centres,LTH Profile Area: Photon Science and Technology,LTH Profile areas,Faculty of Engineering, LTH,LU Profile Area: Light and Materials,Lund University Profile areas(Swepub:lu)slju-sri
(författare)
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University of ChicagoArgonne National Laboratory
(creator_code:org_t)
Sammanhörande titlar
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Ingår i:Journal of Physical Chemistry Letters15:16, s. 4286-42931948-7185
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