University of Oulu

N. Boudjemia, K. Jänkälä, T. Gejo, K. Nagaya, K. Tamasaku, M. Huttula, M. N. Piancastelli, M. Simon and M. Oura, Phys. Chem. Chem. Phys., 2019, 21, 5448 DOI: 10.1039/C8CP07307D

Deep core photoionization of iodine in CH₃I and CF₃I molecules : how deep down does the chemical shift reach?

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Author: Boudjemia, Nacer1; Jänkälä, Kari1; Gejo, Tatsuo2,3;
Organizations: 1Nano and Molecular Systems Research Unit, University of Oulu, P.O. Box 3000, 90014 Oulu, Finland
2RIKEN SPring-8 Center, 1-1-1 Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5148, Japan
3Graduate School of Materials Science, University of Hyogo, Kamigori-cho, Ako-gun, Hyogo 678-1297, Japan
4Department of Physics, Kyoto University, Kyoto 606-8502, Japan
5Sorbonne Université, CNRS, Laboratoire de Chimie Physique-Matière et Rayonnement, LCPMR, F-75005, Paris, France
6Department of Physics, and Astronomy, Uppsala University, SE-75120 Uppsala, Sweden
Format: article
Version: published version
Access: open
Online Access: PDF Full Text (PDF, 2.6 MB)
Persistent link: http://urn.fi/urn:nbn:fi-fe2019061220060
Language: English
Published: Royal Society of Chemistry, 2019
Publish Date: 2019-06-12
Description:

Abstract

Hard X-ray electron spectroscopic study of iodine 1s and 2s photoionization of iodomethane (CH₃I) and trifluoroiodomethane (CF₃I) molecules is presented. The experiment was carried out at the SPring-8 synchrotron radiation facility in Japan. The results are analyzed with the aid of relativistic molecular and atomic calculations. It is shown that charge redistribution within the molecule is experimentally observable even for very deep levels and is a function of the number of electron vacancies. We also show that the analysis of Auger spectra subsequent to hard X-ray photoionization can be used to provide insight into charge distribution in molecules and highlight the necessity of quantum electrodynamics corrections in the prediction of core shell binding energies in molecules that contain heavy atoms.

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Series: PCCP. Physical chemistry chemical physics
ISSN: 1463-9076
ISSN-E: 1463-9084
ISSN-L: 1463-9076
Volume: 21
Issue: 10
Pages: 5448 - 5454
DOI: 10.1039/c8cp07307d
OADOI: https://oadoi.org/10.1039/c8cp07307d
Type of Publication: A1 Journal article – refereed
Field of Science: 114 Physical sciences
116 Chemical sciences
Subjects:
Funding: We would like to thank TOSO F-TECH, Inc, for providing CF₃I samples, and we are grateful for the financial support by the European Union’s Horizon 2020 research and innovation programme under the Marie Skoldowska-Curie grant agreement (No. 713606).
Copyright information: © The Authors 2019. Published by the PCCP Owner Societies. This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. Material from this article can be used in other publications provided that the correct acknowledgement is given with the reproduced material.
  https://creativecommons.org/licenses/by/3.0/