State-selective dissociative double ionization of CH3I and CH2I2 via I 4d core-hole states studied by multi-electron–ion coincidence spectroscopy
- 2 May 2024
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 160 (17)
Abstract
The dissociative double ionization of CH3I and CH2I2 irradiated with extreme ultraviolet light at hv = 100 eV is investigated by multi-electron–ion coincidence spectroscopy using a magnetic bottle type electron spectrometer. The spin–orbit state-resolved Auger electron spectra for the I 4d core-hole states, (I 4d3/2)−1 and (I 4d5/2)−1, provide clear identifications of electronic states of CH3I2+ and CH2I22+. The dominant ion species produced after the double ionization correlate with the Auger electron energy, showing that different fragmentation pathways are open depending on the electronic states populated by the Auger decay. Theoretical calculations are performed to understand the fragmentation from the doubly charged states and the observed spin–orbit specificity in the Auger decay.Keywords
Funding Information
- Japan Society for the Promotion of Science (20K05549, 21K03430)
This publication has 60 references indexed in Scilit:
- Nonadiabatic dynamics: The SHARC approachWIREs Computational Molecular Science, 2018
- Software update: the ORCA program system, version 4.0WIREs Computational Molecular Science, 2017
- Multiwfn: A multifunctional wavefunction analyzerJournal of Computational Chemistry, 2011
- Double ionisation of ICN and BrCN studied by a new photoelectron–photoion coincidence techniqueChemical Physics, 2006
- Medium-size polarized basis sets for high-level-correlated calculations of molecular electric propertiesTheoretical Chemistry Accounts, 1991
- A photoelectron-ion-ion triple coincidence technique for the study of double photoionization and its consequencesJournal of Electron Spectroscopy and Related Phenomena, 1986
- Valence and inner shell electronic processes in dissociative double photoionization of CH3IChemical Physics, 1986
- Molecular orbital theory of the properties of inorganic and organometallic compounds 4. Extended basis sets for third‐and fourth‐row, main‐group elementsJournal of Computational Chemistry, 1986
- An efficient second-order MC SCF method for long configuration expansionsChemical Physics Letters, 1985
- 30.4 nm He (II) photoelectron spectra of organic molecules Part VI. Halogeno-compounds (C, H, X; X = Cl, Br, I)Journal of Electron Spectroscopy and Related Phenomena, 1982