1. Spin–orbit effects, electronic decay and breakdown phenomena in the photoelectron spectra of iodomethane
- Author
-
A. N. Sil, J. Patrick Zobel, Markus Pernpointner, and Elke Fasshauer
- Subjects
Double ionization ,Population ,General Physics and Astronomy ,Photoionization ,GREENS-FUNCTION ,Spectral line ,METHYL-IODIDE ,CH3I ,Ionization ,PARTICLE-PARTICLE PROPAGATOR ,Spin-orbit coupling ,Physical and Theoretical Chemistry ,education ,INTERATOMIC DECAY ,CHARGED IONS ,education.field_of_study ,Valence (chemistry) ,Chemistry ,Iodomethane ,Single-and double ionization spectra ,Relativistic propagators ,Propagator ,PHOTODISSOCIATION ,Spin–orbit interaction ,Breakdown phenomena ,IONIZATION ,3RD-ORDER ,Atomic physics ,ENERGY-TRANSFER - Abstract
In this work we discuss the theoretical photo-double ionization spectrum of iodomethane which was obtained by the newly developed relativistic two-particle propagator and compare it to experimental data. For a correct interpretation of the spectral features in the outer valence region, spin-orbit effects play a major role and induce new features to the spectra. Additionally, wide-energy range single and double ionization spectra of iodomethane were calculated revealing possible electronic decay reactions after high-energy primary ionization. In the low energy region of the single ionization spectrum pronounced breakdown was observed resulting in a highly correlated manifold which was characterized in detail via population analysis. (C) 2012 Elsevier B. V. All rights reserved.
- Published
- 2012