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@ARTICLE{Jahnke:623850,
author = {Jahnke, Till and Mai, Sebastian and Bhattacharyya, Surjendu
and Chen, Keyu and Boll, Rebecca and Castellani, Maria Elena
and Dold, Simon and Duley, Avijit and Frühling, Ulrike and
Green, Alice E. and Ilchen, Markus and Ingle, Rebecca and
Kastirke, Gregor and Lam, Huynh Van Sa and Lever, Fabiano
and Mayer, Dennis and Mazza, Tommaso and Mullins, Terence
and Ovcharenko, Yevheniy and Senfftleben, Björn and
Trinter, Florian and Noor, Atia Tul and Usenko, Sergey and
Venkatachalam, Anbu Selvam and Rudenko, Artem and Rolles,
Daniel and Meyer, Michael and Ibrahim, Heide and Gühr,
Markus},
title = {{D}irect observation of ultrafast symmetry reduction during
internal conversion of 2-thiouracil using {C}oulomb
explosion imaging},
journal = {Nature Communications},
volume = {16},
issn = {2041-1723},
address = {[London]},
publisher = {Springer Nature},
reportid = {PUBDB-2025-00802, arXiv:2405.15367},
pages = {2074},
year = {2025},
note = {19 pages, 8 figures. Title is: Direct observation of
ultrafast symmetry reduction during internal conversion
2-thiouracil using Coulomb explosion imagingBitte mit dem},
abstract = {The photochemistry of heterocyclic molecules plays a
decisive role for processes and applications like DNA
photo-protection from UV damage and organic photocatalysis.
The photochemical reactivity of heterocycles is determined
by the redistribution of photoenergy into electronic and
nuclear degrees of freedom, initially involving ultrafast
internal conversion. Most heterocycles are planar in their
ground state and internal conversion requires symmetry
breaking. To lower the symmetry, the molecule must undergo
an out-of-plane motion, which has not yet been observed
directly. Here we show using the example of 2-thiouracil,
how Coulomb explosion imaging can be utilized to extract
comprehensive information on this molecular deformation,
linking the extracted deplanarization of the molecular
geometry to the previously studied temporal evolution of its
electronic properties. Particularly, the protons of the
exploded molecule are well-suited messengers carrying rich
information on its geometry at distinct times after
electronic excitation. We expect that our new analysis
approach centered on these peripheral protons can be adapted
as a general concept for future time-resolved studies of
complex molecules in the gas phase.},
cin = {DOOR ; HAS-User / FS-FLASH / $XFEL_E2_SQS$ / FS-FLASH-O /
FS-PETRA-S},
ddc = {500},
cid = {I:(DE-H253)HAS-User-20120731 / I:(DE-H253)FS-FLASH-20140814
/ $I:(DE-H253)XFEL_E2_SQS-20210408$ /
I:(DE-H253)FS-FLASH-O-20160930 /
I:(DE-H253)FS-PETRA-S-20210408},
pnm = {631 - Matter – Dynamics, Mechanisms and Control
(POF4-631) / 6G2 - FLASH (DESY) (POF4-6G2) / AIM, DFG
project G:(GEPRIS)390715994 - EXC 2056: CUI: Advanced
Imaging of Matter (390715994) / DFG project
G:(GEPRIS)509471550 - Dynamik photoionisations-induzierter
Prozesse in laser-präparierten Molekülen in der Gasphase
und der wässrigen Phase (509471550) / 123-CO - Spying on
Ultrafast Structural Changes Through Three Sets of Eyes
(101067645)},
pid = {G:(DE-HGF)POF4-631 / G:(DE-HGF)POF4-6G2 /
G:(GEPRIS)390715994 / G:(GEPRIS)509471550 /
G:(EU-Grant)101067645},
experiment = {EXP:(DE-H253)F-FL24-20150901},
typ = {PUB:(DE-HGF)16},
eprint = {2405.15367},
howpublished = {arXiv:2405.15367},
archivePrefix = {arXiv},
SLACcitation = {$\%\%CITATION$ = $arXiv:2405.15367;\%\%$},
pubmed = {pmid:40021641},
UT = {WOS:001435592900010},
doi = {10.1038/s41467-025-57083-3},
url = {https://bib-pubdb1.desy.de/record/623850},
}