Deep core photoionization of iodine in CH 3 I and CF 3 I molecules: how deep down does the chemical shift reach? - Laboratoire de Chimie Physique-Matière et Rayonnement Accéder directement au contenu
Article Dans Une Revue Physical Chemistry Chemical Physics Année : 2019

Deep core photoionization of iodine in CH 3 I and CF 3 I molecules: how deep down does the chemical shift reach?

Résumé

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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Dates et versions

hal-02172229 , version 1 (03-07-2019)

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Nacer Boudjemia, Kari Jänkälä, Tatsuo Gejo, Kiyonobu Nagaya, Kenji Tamasaku, et al.. Deep core photoionization of iodine in CH 3 I and CF 3 I molecules: how deep down does the chemical shift reach?. Physical Chemistry Chemical Physics, 2019, 21 (10), pp.5448-5454. ⟨10.1039/C8CP07307D⟩. ⟨hal-02172229⟩
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