The carbon and oxygen K-edge NEXAFS spectra of CO+
(2020) In Physical Chemistry Chemical Physics 22(28). p.16215-16223- Abstract
We present and analyze high resolution near edge X-ray absorption fine structure (NEXAFS) spectra of CO+ at the carbon and oxygen K-edges. The spectra show a wealth of features that appear very differently at the two K-edges. The analysis of these features can be divided into three parts; (i) repopulation transition to the open shell orbital-here the C(1s) or O(1s) to 5σ transition, where the normal core hole state is reached from a different initial state and different interaction than in X-ray photoelectron spectroscopy; (ii) spin coupled split valence bands corresponding to C(1s) or O(1s) to π∗ transitions; (iii) remainder weak and long progressions towards the double ionization potentials containing a manifold of peaks. These parts,... (More)
We present and analyze high resolution near edge X-ray absorption fine structure (NEXAFS) spectra of CO+ at the carbon and oxygen K-edges. The spectra show a wealth of features that appear very differently at the two K-edges. The analysis of these features can be divided into three parts; (i) repopulation transition to the open shell orbital-here the C(1s) or O(1s) to 5σ transition, where the normal core hole state is reached from a different initial state and different interaction than in X-ray photoelectron spectroscopy; (ii) spin coupled split valence bands corresponding to C(1s) or O(1s) to π∗ transitions; (iii) remainder weak and long progressions towards the double ionization potentials containing a manifold of peaks. These parts, none of which has correspondence in NEXAFS spectra of neutral molecules, are dictated by the localization of the singly occupied 5σ orbital, adding a dimension of chemistry to the ionic NEXAFS technique.
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- author
- organization
- publishing date
- 2020
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Physical Chemistry Chemical Physics
- volume
- 22
- issue
- 28
- pages
- 9 pages
- publisher
- Royal Society of Chemistry
- external identifiers
-
- pmid:32643725
- scopus:85088680676
- ISSN
- 1463-9076
- DOI
- 10.1039/d0cp02207a
- language
- English
- LU publication?
- yes
- id
- f88d673f-5948-478e-bee7-18bd3581060b
- date added to LUP
- 2020-12-29 13:38:29
- date last changed
- 2024-08-08 08:00:54
@article{f88d673f-5948-478e-bee7-18bd3581060b, abstract = {{<p>We present and analyze high resolution near edge X-ray absorption fine structure (NEXAFS) spectra of CO+ at the carbon and oxygen K-edges. The spectra show a wealth of features that appear very differently at the two K-edges. The analysis of these features can be divided into three parts; (i) repopulation transition to the open shell orbital-here the C(1s) or O(1s) to 5σ transition, where the normal core hole state is reached from a different initial state and different interaction than in X-ray photoelectron spectroscopy; (ii) spin coupled split valence bands corresponding to C(1s) or O(1s) to π∗ transitions; (iii) remainder weak and long progressions towards the double ionization potentials containing a manifold of peaks. These parts, none of which has correspondence in NEXAFS spectra of neutral molecules, are dictated by the localization of the singly occupied 5σ orbital, adding a dimension of chemistry to the ionic NEXAFS technique.</p>}}, author = {{Couto, Rafael C. and Kjellsson, Ludvig and Ågren, Hans and Carravetta, Vincenzo and Sorensen, Stacey L. and Kubin, Markus and Bülow, Christine and Timm, Martin and Zamudio-Bayer, Vicente and Von Issendorff, Bernd and Lau, J. Tobias and Söderström, Johan and Rubensson, Jan Erik and Lindblad, Rebecka}}, issn = {{1463-9076}}, language = {{eng}}, number = {{28}}, pages = {{16215--16223}}, publisher = {{Royal Society of Chemistry}}, series = {{Physical Chemistry Chemical Physics}}, title = {{The carbon and oxygen K-edge NEXAFS spectra of CO<sup>+</sup>}}, url = {{http://dx.doi.org/10.1039/d0cp02207a}}, doi = {{10.1039/d0cp02207a}}, volume = {{22}}, year = {{2020}}, }