A study of the valence shell photoionization dynamics following core level resonant excitation in imidazole
5 affiliations
- 1STFC,
- 2Daresbury
- 3Department of Chemistry, University College London, 20 Gordon Street, London, United Kingdom, WC1H 0AJ
- 4L’Orme des Merisiers
- 5Department of Physical Chemistry,, University of Chemistry and Technology in Prague, Technická 5, Prague, Czechia, 166 28
Abstract
The photoionization and subsequent Auger decay dynamics of core-excited states in imidazole have been investigated at the carbon and nitrogen K-edges using linearly polarized synchrotron radiation. Ion yield measurements in the pre-edge regions were used to locate core-level transitions into either unoccupied valence or Rydberg states, and assignments were made through comparison with simulated spectra obtained using the RASPT2 method. Valence shell photoelectron spectra were recorded at photon energies coinciding with these core-level transitions, using two polarization orientations to allow the photoelectron angular distributions to be determined. The interpretation of these resonantly excited photoelectron spectra was guided by RASPT2 simulations that helped distinguish between participator and spectator contributions. Autoionization strongly affects the photoelectron intensity and angular distributions of the outer valence 1h states. Spectator contributions become evident at binding energies above 15 eV, and some of the intense 2h-1p states are well-described by the calculations, allowing assignments to be proposed. The non-resonantly excited C(KVV) and N(KVV) Auger spectra have been measured and some of the features at high kinetic energies have been assigned.
Related
- Resonant photoionization dynamics during optical trapping of lithium atoms
- Pump-probe interferometry of picosecond superradiance under direct resonant excitation
- Pole Skipping, Avoided Crossing, and Resonant Excitation in Kerr Quasinormal Modes near Algebraically Special Frequencies
- Efficient Quasi-Resonant, Polarization-Selective Excitation of GaN Quantum Emitters.
- Non-Perturbative Vibrational Excitation by Arbitrary Electric Fields from Classical Phase-Space Dynamics
BibTeX
@misc{holland2026study,
title = {{A study of the valence shell photoionization dynamics following core level resonant excitation in imidazole}},
author = {D. M. P. Holland and H. G. McGhee and A. R. Milosavljević and J. D. Bozek and E. Muchová and R. A. Ingle},
howpublished = {ChemRxiv},
year = {2026},
month = oct,
doi = {10.26434/chemrxiv.15010284/v1},
url = {https://chemrxiv.org/doi/full/10.26434/chemrxiv.15010284/v1},
note = {CC BY-NC-ND},
}
RIS
TY - UNPB
TI - A study of the valence shell photoionization dynamics following core level resonant excitation in imidazole
AU - D. M. P. Holland
AU - H. G. McGhee
AU - A. R. Milosavljević
AU - J. D. Bozek
AU - E. Muchová
AU - R. A. Ingle
PY - 2026
DA - 2026/10/12
PB - ChemRxiv
DO - 10.26434/chemrxiv.15010284/v1
UR - https://chemrxiv.org/doi/full/10.26434/chemrxiv.15010284/v1
AB - The photoionization and subsequent Auger decay dynamics of core-excited states in imidazole have been investigated at the carbon and nitrogen K-edges using linearly polarized synchrotron radiation. Ion yield measurements in the pre-edge regions were used to locate core-level transitions into either unoccupied valence or Rydberg states, and assignments were made through comparison with simulated spectra obtained using the RASPT2 method. Valence shell photoelectron spectra were recorded at photon energies coinciding with these core-level transitions, using two polarization orientations to allow the photoelectron angular distributions to be determined. The interpretation of these resonantly excited photoelectron spectra was guided by RASPT2 simulations that helped distinguish between participator and spectator contributions. Autoionization strongly affects the photoelectron intensity and angular distributions of the outer valence 1h states. Spectator contributions become evident at binding energies above 15 eV, and some of the intense 2h-1p states are well-described by the calculations, allowing assignments to be proposed. The non-resonantly excited C(KVV) and N(KVV) Auger spectra have been measured and some of the features at high kinetic energies have been assigned.
ER -