Skip to main content

Lund University Publications

LUND UNIVERSITY LIBRARIES

The carbon and oxygen K-edge NEXAFS spectra of CO+

Couto, Rafael C. ; Kjellsson, Ludvig ; Ågren, Hans ; Carravetta, Vincenzo ; Sorensen, Stacey L. LU orcid ; Kubin, Markus ; Bülow, Christine ; Timm, Martin ; Zamudio-Bayer, Vicente and Von Issendorff, Bernd , et al. (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.

(Less)
Please use this url to cite or link to this publication:
author
; ; ; ; ; ; ; ; and , et al. (More)
; ; ; ; ; ; ; ; ; ; ; ; and (Less)
organization
publishing date
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
  • scopus:85088680676
  • pmid:32643725
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
2024-05-30 02:10:13
@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}},
}