Journal Article

PUBDB-2025-01584

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Interplay of protection and damage through intermolecular processes in the decay of electronic core holes in microsolvated organic molecules

Bloss, D. (Corresponding author)Extern* ; Kryzhevoi, N. V. ; Maurmann, J. ; Schmidt, P.XFEL.EU* ; Knie, A.Extern*XFEL.EU* ; Viehmann, J. H.Extern* ; Küstner-Wetekam, C.Extern* ; Deinert, S.Extern*XFEL.EU*DESY* ; Hartmann, G.Extern* ; Trinter, F.Extern* ; Cederbaum, L. S.Extern* ; Ehresmann, A.Extern* ; Kuleff, A. I.Extern*XFEL.EU* ; Hans, A.Extern*

2025
RSC Publ. Cambridge

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Please use a persistent id in citations: doi:10.1039/D4CP03907F  doi:10.3204/PUBDB-2025-01584

Abstract: Soft X-ray irradiation of molecules causes electronic core-level vacancies through photoelectron emission. In light elements, such as C, N, or O, which are abundant in the biosphere, these vacancies predominantly decay by Auger emission, leading inevitably to dissociative multiply charged states. It was recently demonstrated that an environment can prevent fragmentation of core-level-ionised small organic molecules through immediate non-local decay of the core hole, dissipating charge and energy to the environment. Here, we present an extended photoelectron–photoion–photoion coincidence (PEPIPICO) study of the biorelevant pyrimidine molecule embedded in a water cluster. It is observed and supported by theoretical calculations that the supposed protective effect of the environment is partially reversed if the vacancy is originally located at a water molecule. In this scenario, intermolecular energy or charge transfer from the core-ionised water environment to the pyrimidine molecule leads to ionisation of the latter, however, presumably in non-dissociative cationic states. Our results contribute to a more comprehensive understanding of the complex interplay of protective and harmful effects of an environment in the photochemistry of microsolvated molecules exposed to X-rays.

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Contributing Institute(s):

1. FS-PETRA (FS-PETRA)
2. PETRA-D (FS-PETRA-D)
3. DOOR-User (DOOR ; HAS-User)

Research Program(s):

1. 631 - Matter – Dynamics, Mechanisms and Control (POF4-631) (POF4-631)
2. 6G3 - PETRA III (DESY) (POF4-6G3) (POF4-6G3)
3. DFG project G:(GEPRIS)328961117 - SFB 1319: Extremes Licht zur Analyse und Kontrolle molekularer Chiralität (ELCH) (328961117) (328961117)
4. DFG project G:(GEPRIS)509471550 - Dynamik photoionisations-induzierter Prozesse in laser-präparierten Molekülen in der Gasphase und der wässrigen Phase (509471550) (509471550)
5. ETMD_ICEC - Efficient pathways to neutralization and radical production enabled by environment (692657) (692657)

Experiment(s):

1. PETRA Beamline P04 (PETRA III)

Appears in the scientific report 2025

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Database coverage:
; ; ; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; Essential Science Indicators ; IF < 5 ; JCR ; National-Konsortium ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection

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