Double core-hole states in SiX4 (X = F, Cl, Br, and CH3) molecules derived by photoelectron and KLL Auger spectroscopy

29th International Conference on Photonic, Electronic, and Atomic Collisions

Püttner, R.^1 ; Marchenko, T.^2,3 ; Guillemin, R.^2,3 ; Journel, L.^2,3 ; Goldsztejn, G.^2,3 ; Rueff, J.-P.^4 ; Céolin, D.^4 ; Lindle, D.W.^5 ; Lago, A.^6 ; Ueda, K.^7 ; Takahashi, O.^8 ; Piancastelli, M.N.^2,3,9 ; Simon, M.^2,3,4

Institut für Experimentalphysik, Freie Universität Berlin, Germany^1

CNRS, UMR 7614, Laboratoire de Chimie Physique-Matiére et Rayonnement, France^2

Sorbonne Universités, UPMC Univ Paris 06, UMR 7614, LCPMR, France^3

Synchrotron SOLEIL, Gif-sur-Yvette, France^4

Department of Chemistry, University of Nevada, Las Vegas, United States^5

Centro de Ciências Naturais e Humanas, Universidade Federal Do ABC (UFABC), Santo André-SP, Brazil^6

Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai, Japan^7

Department of Chemistry, Hiroshima University, Japan^8

Department of Physics and Astronomy, Uppsala University, Sweden^9

关键词: Auger spectroscopy;    Double core;    Initial state;    Relaxation effect;    Wagner plots;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/635/11/112057/pdf
DOI  :  10.1088/1742-6596/635/11/112057

来源: IOP

【 摘 要 】

In recent years double core-hole states are intensively studied since their chemical shifts provide detailed information about initial-state and relaxation effects in a molecule. We derived the Si 1s-1, 2s-1, and 2p-1binding energies as well as the Si 2s-2, 2s-1, 2p-1, and 2p-2double-core hole binding energies of different SiX4systems in order to derive the chemical shifts. Based on these results we created Wagner plots, which give insight in the initial state and the relaxation effects in the different molecules.