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@ARTICLE{Reinwardt:607638,
author = {Reinwardt, Simon and Cieslik, Patrick and Buhr, Ticia and
Perry-Sassmannshausen, Alexander and Schippers, Stefan and
Mueller, Alfred and Trinter, Florian and Martins, Michael},
title = {{I}somer-specific photofragmentation of {C}$_3${H}$_3$$^+$
at the carbon {K}-edge},
journal = {Physical chemistry, chemical physics},
volume = {26},
number = {21},
issn = {1463-9076},
address = {Cambridge},
publisher = {RSC Publ.},
reportid = {PUBDB-2024-01974},
pages = {15519-15529},
year = {2024},
abstract = {Individual fingerprints of different isomers of
C$_3$H$_3$$^+$ cations have been identified by studying
photoionization, photoexcitation, and photofragmentation of
C$_3$H$_3$$^+$ near the carbon K-edge. The experiment was
performed employing the photon-ion merged-beams technique at
the photon-ion spectrometer at PETRA III (PIPE). This
technique is a variant of near-edge X-ray absorption
fine-structure spectroscopy, which is particularly sensitive
to the 1s → π* excitation. The C$_3$H$_3$$^+$ primary
ions were generated by an electron cyclotron resonance ion
source. C$_3$H$_n^{2+}$ product ions with n = 0, 1, 2, and 3
were observed for photon energies in the range of 279.0 eV
to 295.2 eV. The experimental spectra are interpreted with
the aid of theoretical calculations within the framework of
time-dependent density functional theory. To this end,
absorption spectra have been calculated for three different
constitutional isomers of C$_3$H$_3$$^+$. We find that our
experimental approach offers a new possibility to study at
the same time details of the electronic structure and of the
geometry of molecular ions such as C$_3$H$_3$$^+$.},
cin = {DOOR ; HAS-User},
ddc = {540},
cid = {I:(DE-H253)HAS-User-20120731},
pnm = {6G3 - PETRA III (DESY) (POF4-6G3) / FS-Proposal: I-20191440
(I-20191440) / 05K19GU4 - SFX2: Hochdurchsatz
Serielle-Femtosekunden Kristallographie @ EU XFEL.
(BMBF-05K19GU4) / DFG project 245652604 - Photo-induzierte
Prozesse endohedraler Fulleren-Ionen: Experiment (245652604)
/ DFG project 389115454 - K-Schalen-Photoionisation negativ
geladener atomarer Ionen (389115454) / SFB 925 A03 -
Elektronische Korrelationen in nichtlinearen Prozessen (A03)
(201267377) / DFG project 509471550 - Dynamik
photoionisations-induzierter Prozesse in laser-präparierten
Molekülen in der Gasphase und der wässrigen Phase
(509471550)},
pid = {G:(DE-HGF)POF4-6G3 / G:(DE-H253)I-20191440 /
G:(DE-Ds200)BMBF-05K19GU4 / G:(GEPRIS)245652604 /
G:(GEPRIS)389115454 / G:(GEPRIS)201267377 /
G:(GEPRIS)509471550},
experiment = {EXP:(DE-H253)P-P04-20150101},
typ = {PUB:(DE-HGF)16},
pubmed = {38752716},
UT = {WOS:001224369200001},
doi = {10.1039/D4CP00370E},
url = {https://bib-pubdb1.desy.de/record/607638},
}