Ultrafast dynamics in core-excited states probed by resonant Auger spectroscopy: pyrrole
Abstract
We present high-resolution resonant Auger spectra of pyrrole at both the nitrogen and carbon edges. Through comparison to high-level quantum chemical calculations and a linear vibronic coupling model, we show how resonant Auger spectroscopy can capture the out-of-plane nuclear motions that occur during the few femtosecond core-hole relaxation processes. We also demonstrate how, in scenarios where there are near-degenerate electronic transitions in the X-ray absorption spectrum that cannot be resolved experimentally, resonant Auger can be used as a probe of the underlying electronic structure. Overall, resonant Auger is a technique capable of revealing detailed information about core-excited molecules that cannot be recovered through X-ray absorption or photoelectron spectroscopy alone.
Fields of Study & Subjects
Spectroscopy and Quantum Chemical Studies
Advanced Chemical Physics Studies
Fullerene Chemistry and Applications
Publication details
- Journal / source
- Chemical Science
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 17
- Issue
- 15
- Pages
- 7773–7786
- Publication date
- 1 January 2026
- Language
- EN