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@ARTICLE{Bloss:627267,
author = {Bloss, Dana and Kryzhevoi, Nikolai V. and Maurmann, Jonas
and Schmidt, Philipp and Knie, André and Viehmann, Johannes
H. and Küstner-Wetekam, Catmarna and Deinert, Sascha and
Hartmann, Gregor and Trinter, Florian and Cederbaum, Lorenz
S. and Ehresmann, Arno and Kuleff, Alexander I. and Hans,
Andreas},
title = {{I}nterplay of protection and damage through intermolecular
processes in the decay of electronic core holes in
microsolvated organic molecules},
journal = {Physical chemistry, chemical physics},
volume = {27},
number = {18},
issn = {1463-9076},
address = {Cambridge},
publisher = {RSC Publ.},
reportid = {PUBDB-2025-01584},
pages = {9329 - 9335},
year = {2025},
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.},
cin = {FS-PETRA / FS-PETRA-D / DOOR ; HAS-User},
ddc = {540},
cid = {I:(DE-H253)FS-PETRA-20140814 /
I:(DE-H253)FS-PETRA-D-20210408 /
I:(DE-H253)HAS-User-20120731},
pnm = {631 - Matter – Dynamics, Mechanisms and Control
(POF4-631) / 6G3 - PETRA III (DESY) (POF4-6G3) / DFG project
G:(GEPRIS)328961117 - SFB 1319: Extremes Licht zur Analyse
und Kontrolle molekularer Chiralität (ELCH) (328961117) /
DFG project G:(GEPRIS)509471550 - Dynamik
photoionisations-induzierter Prozesse in laser-präparierten
Molekülen in der Gasphase und der wässrigen Phase
(509471550) / $ETMD_ICEC$ - Efficient pathways to
neutralization and radical production enabled by environment
(692657)},
pid = {G:(DE-HGF)POF4-631 / G:(DE-HGF)POF4-6G3 /
G:(GEPRIS)328961117 / G:(GEPRIS)509471550 /
G:(EU-Grant)692657},
experiment = {EXP:(DE-H253)P-P04-20150101},
typ = {PUB:(DE-HGF)16},
pubmed = {40047179},
UT = {WOS:001437729600001},
doi = {10.1039/D4CP03907F},
url = {https://bib-pubdb1.desy.de/record/627267},
}