Home > Publications database > Following excited-state chemical shifts in molecular ultrafast x-ray photoelectron spectroscopy > print

001     473646
005     20250715175356.0
024 7 _ |a 10.1038/s41467-021-27908-y
|2 doi
024 7 _ |a 10.3204/PUBDB-2022-00159
|2 datacite_doi
024 7 _ |a altmetric:120628138
|2 altmetric
024 7 _ |a pmid:35017539
|2 pmid
024 7 _ |a WOS:000741852200019
|2 WOS
024 7 _ |a arXiv:2102.13431
|2 arXiv
024 7 _ |2 openalex
|a openalex:W3190951255
037 _ _ |a PUBDB-2022-00159
041 _ _ |a English
082 _ _ |a 500
088 _ _ |a arXiv:2102.13431
|2 arXiv
100 1 _ |a Mayer, D.
|b 0
245 _ _ |a Following excited-state chemical shifts in molecular ultrafast x-ray photoelectron spectroscopy
260 _ _ |a [London]
|c 2022
|b Nature Publishing Group UK
336 7 _ |a article
|2 DRIVER
336 7 _ |a Output Types/Journal article
|2 DataCite
336 7 _ |a Journal Article
|b journal
|m journal
|0 PUB:(DE-HGF)16
|s 1734528379_2763690
|2 PUB:(DE-HGF)
336 7 _ |a ARTICLE
|2 BibTeX
336 7 _ |a JOURNAL_ARTICLE
|2 ORCID
336 7 _ |a Journal Article
|0 0
|2 EndNote
520 _ _ |a The conversion of photon energy into other energetic forms in molecules is accompanied by charge moving on ultrafast timescales. We directly observe the charge motion at a specific site in an electronically excited molecule using time-resolved x-ray photoelectron spectroscopy (TR-XPS). We extend the concept of static chemical shift from conventional XPS by the excited-state chemical shift (ESCS), which is connected to the charge in the framework of a potential model. This allows us to invert TR-XPS spectra to the dynamic charge at a specific atom. We demonstrate the power of TR-XPS by using sulphur 2p-core-electron-emission probing to study the UV-excited dynamics of 2-thiouracil. The method allows us to discover that a major part of the population relaxes to the molecular ground state within 220–250 fs. In addition, a 250-fs oscillation, visible in the kinetic energy of the TR-XPS, reveals a coherent exchange of population among electronic states.
536 _ _ |a 631 - Matter – Dynamics, Mechanisms and Control (POF4-631)
|0 G:(DE-HGF)POF4-631
|c POF4-631
|f POF IV
|x 0
536 _ _ |a 6G2 - FLASH (DESY) (POF4-6G2)
|0 G:(DE-HGF)POF4-6G2
|c POF4-6G2
|f POF IV
|x 1
536 _ _ |a HIRS-0018 - Helmholtz-Lund International School - Intelligent instrumentation for exploring matter at different time and length scales (HELIOS) (2020_HIRS-0018)
|0 G:(DE-HGF)2020_HIRS-0018
|c 2020_HIRS-0018
|x 2
536 _ _ |a STARLIGHT - Steering attosecond electron dynamics in biomolecules with UV-XUV LIGHT pulses (637756)
|0 G:(EU-Grant)637756
|c 637756
|f ERC-2014-STG
|x 3
588 _ _ |a Dataset connected to CrossRef, Journals: bib-pubdb1.desy.de
693 _ _ |a FLASH2
|f FLASH2 Beamline FL24
|1 EXP:(DE-H253)FLASHII-20150901
|0 EXP:(DE-H253)F-FL24-20150901
|6 EXP:(DE-H253)F-FL24-20150901
|x 0
700 1 _ |a Lever, F.
|b 1
700 1 _ |a Picconi, D.
|0 P:(DE-HGF)0
|b 2
|e Corresponding author
700 1 _ |a Metje, J.
|b 3
700 1 _ |a Alisauskas, S.
|0 P:(DE-H253)PIP1032739
|b 4
700 1 _ |a Calegari, F.
|0 P:(DE-H253)PIP1023238
|b 5
700 1 _ |a Düsterer, S.
|0 P:(DE-H253)PIP1002687
|b 6
700 1 _ |a Ehlert, C.
|0 P:(DE-H253)PIP1012753
|b 7
700 1 _ |a Feifel, R.
|0 P:(DE-H253)PIP1009717
|b 8
700 1 _ |a Niebuhr, M.
|b 9
700 1 _ |a Manschwetus, B.
|0 P:(DE-H253)PIP1025415
|b 10
700 1 _ |a Kuhlmann, M.
|0 P:(DE-H253)PIP1003607
|b 11
700 1 _ |a Mazza, T.
|0 P:(DE-H253)PIP1013759
|b 12
700 1 _ |a Robinson, M. S.
|0 P:(DE-H253)PIP1084984
|b 13
700 1 _ |a Squibb, R. J.
|0 P:(DE-H253)PIP1088196
|b 14
700 1 _ |a Trabattoni, A.
|0 P:(DE-H253)PIP1028302
|b 15
700 1 _ |a Wallner, M.
|0 P:(DE-H253)PIP1088217
|b 16
700 1 _ |a Saalfrank, P.
|b 17
700 1 _ |a Wolf, T. J. A.
|0 P:(DE-H253)PIP1087880
|b 18
700 1 _ |a Gühr, M.
|0 P:(DE-H253)PIP1084094
|b 19
|e Corresponding author
773 _ _ |a 10.1038/s41467-021-27908-y
|g Vol. 13, no. 1, p. 198
|0 PERI:(DE-600)2553671-0
|n 1
|p 198
|t Nature Communications
|v 13
|y 2022
|x 2041-1723
787 0 _ |a Mayer, D. et.al.
|d 2021
|i IsParent
|0 PUBDB-2024-07841
|r arXiv:2102.13431
|t Following excited-state chemical shifts in molecular ultrafast x-ray photoelectron spectroscopy
856 4 _ |y OpenAccess
|u https://bib-pubdb1.desy.de/record/473646/files/Main_full_Text.docx.pdf
856 4 _ |y Restricted
|u https://bib-pubdb1.desy.de/record/473646/files/Screenshot%202022-01-14%20at%2012.18.55.gif
856 4 _ |y OpenAccess
|u https://bib-pubdb1.desy.de/record/473646/files/s41467-021-27908-y.pdf
856 4 _ |y Restricted
|x icon
|u https://bib-pubdb1.desy.de/record/473646/files/Screenshot%202022-01-14%20at%2012.18.55.gif?subformat=icon
856 4 _ |y Restricted
|x icon-180
|u https://bib-pubdb1.desy.de/record/473646/files/Screenshot%202022-01-14%20at%2012.18.55.jpg?subformat=icon-180
856 4 _ |y Restricted
|x icon-700
|u https://bib-pubdb1.desy.de/record/473646/files/Screenshot%202022-01-14%20at%2012.18.55.jpg?subformat=icon-700
856 4 _ |y OpenAccess
|x pdfa
|u https://bib-pubdb1.desy.de/record/473646/files/s41467-021-27908-y.pdf?subformat=pdfa
909 C O |o oai:bib-pubdb1.desy.de:473646
|p openaire
|p open_access
|p driver
|p VDB
|p ec_fundedresources
|p dnbdelivery
910 1 _ |a Deutsches Elektronen-Synchrotron
|0 I:(DE-588b)2008985-5
|k DESY
|b 4
|6 P:(DE-H253)PIP1032739
910 1 _ |a Deutsches Elektronen-Synchrotron
|0 I:(DE-588b)2008985-5
|k DESY
|b 5
|6 P:(DE-H253)PIP1023238
910 1 _ |a Deutsches Elektronen-Synchrotron
|0 I:(DE-588b)2008985-5
|k DESY
|b 6
|6 P:(DE-H253)PIP1002687
910 1 _ |a European XFEL
|0 I:(DE-588)1043621512
|k XFEL.EU
|b 6
|6 P:(DE-H253)PIP1002687
910 1 _ |a External Institute
|0 I:(DE-HGF)0
|k Extern
|b 7
|6 P:(DE-H253)PIP1012753
910 1 _ |a External Institute
|0 I:(DE-HGF)0
|k Extern
|b 8
|6 P:(DE-H253)PIP1009717
910 1 _ |a Deutsches Elektronen-Synchrotron
|0 I:(DE-588b)2008985-5
|k DESY
|b 10
|6 P:(DE-H253)PIP1025415
910 1 _ |a Deutsches Elektronen-Synchrotron
|0 I:(DE-588b)2008985-5
|k DESY
|b 11
|6 P:(DE-H253)PIP1003607
910 1 _ |a European XFEL
|0 I:(DE-588)1043621512
|k XFEL.EU
|b 12
|6 P:(DE-H253)PIP1013759
910 1 _ |a Centre for Free-Electron Laser Science
|0 I:(DE-H253)_CFEL-20120731
|k CFEL
|b 13
|6 P:(DE-H253)PIP1084984
910 1 _ |a European XFEL
|0 I:(DE-588)1043621512
|k XFEL.EU
|b 13
|6 P:(DE-H253)PIP1084984
910 1 _ |a External Institute
|0 I:(DE-HGF)0
|k Extern
|b 13
|6 P:(DE-H253)PIP1084984
910 1 _ |a External Institute
|0 I:(DE-HGF)0
|k Extern
|b 14
|6 P:(DE-H253)PIP1088196
910 1 _ |a Deutsches Elektronen-Synchrotron
|0 I:(DE-588b)2008985-5
|k DESY
|b 15
|6 P:(DE-H253)PIP1028302
910 1 _ |a Centre for Free-Electron Laser Science
|0 I:(DE-H253)_CFEL-20120731
|k CFEL
|b 15
|6 P:(DE-H253)PIP1028302
910 1 _ |a External Institute
|0 I:(DE-HGF)0
|k Extern
|b 16
|6 P:(DE-H253)PIP1088217
910 1 _ |a European XFEL
|0 I:(DE-588)1043621512
|k XFEL.EU
|b 18
|6 P:(DE-H253)PIP1087880
910 1 _ |a External Institute
|0 I:(DE-HGF)0
|k Extern
|b 18
|6 P:(DE-H253)PIP1087880
910 1 _ |a European XFEL
|0 I:(DE-588)1043621512
|k XFEL.EU
|b 19
|6 P:(DE-H253)PIP1084094
910 1 _ |a External Institute
|0 I:(DE-HGF)0
|k Extern
|b 19
|6 P:(DE-H253)PIP1084094
913 1 _ |a DE-HGF
|b Forschungsbereich Materie
|l Von Materie zu Materialien und Leben
|1 G:(DE-HGF)POF4-630
|0 G:(DE-HGF)POF4-631
|3 G:(DE-HGF)POF4
|2 G:(DE-HGF)POF4-600
|4 G:(DE-HGF)POF
|v Matter – Dynamics, Mechanisms and Control
|x 0
913 1 _ |a DE-HGF
|b Forschungsbereich Materie
|l Großgeräte: Materie
|1 G:(DE-HGF)POF4-6G0
|0 G:(DE-HGF)POF4-6G2
|3 G:(DE-HGF)POF4
|2 G:(DE-HGF)POF4-600
|4 G:(DE-HGF)POF
|v FLASH (DESY)
|x 1
914 1 _ |y 2022
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)0150
|2 StatID
|b Web of Science Core Collection
|d 2021-02-02
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)1040
|2 StatID
|b Zoological Record
|d 2021-02-02
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)1060
|2 StatID
|b Current Contents - Agriculture, Biology and Environmental Sciences
|d 2021-02-02
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)0501
|2 StatID
|b DOAJ Seal
|d 2021-02-02
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)1030
|2 StatID
|b Current Contents - Life Sciences
|d 2021-02-02
915 _ _ |a Article Processing Charges
|0 StatID:(DE-HGF)0561
|2 StatID
|d 2021-02-02
915 _ _ |a WoS
|0 StatID:(DE-HGF)0113
|2 StatID
|b Science Citation Index Expanded
|d 2021-02-02
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)1150
|2 StatID
|b Current Contents - Physical, Chemical and Earth Sciences
|d 2021-02-02
915 _ _ |a Fees
|0 StatID:(DE-HGF)0700
|2 StatID
|d 2021-02-02
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)0200
|2 StatID
|b SCOPUS
|d 2021-02-02
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)1050
|2 StatID
|b BIOSIS Previews
|d 2021-02-02
915 _ _ |a JCR
|0 StatID:(DE-HGF)0100
|2 StatID
|b NAT COMMUN : 2019
|d 2021-02-02
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)0500
|2 StatID
|b DOAJ
|d 2021-02-02
915 _ _ |a OpenAccess
|0 StatID:(DE-HGF)0510
|2 StatID
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)0300
|2 StatID
|b Medline
|d 2021-02-02
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)1190
|2 StatID
|b Biological Abstracts
|d 2021-02-02
915 _ _ |a Creative Commons Attribution CC BY 4.0
|0 LIC:(DE-HGF)CCBY4
|2 HGFVOC
915 _ _ |a IF >= 10
|0 StatID:(DE-HGF)9910
|2 StatID
|b NAT COMMUN : 2019
|d 2021-02-02
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)0199
|2 StatID
|b Clarivate Analytics Master Journal List
|d 2021-02-02
915 _ _ |a Peer Review
|0 StatID:(DE-HGF)0030
|2 StatID
|b DOAJ : Peer review
|d 2021-02-02
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)0160
|2 StatID
|b Essential Science Indicators
|d 2021-02-02
915 _ _ |a DBCoverage
|0 StatID:(DE-HGF)0320
|2 StatID
|b PubMed Central
|d 2021-02-02
920 1 _ |0 I:(DE-H253)FS-ATTO-20170403
|k FS-ATTO
|l Attosecond Science and Technology
|x 0
920 1 _ |0 I:(DE-H253)FS-FLASH-D-20160930
|k FS-FLASH-D
|l FLASH Photonen-Diagnose und Steuerungen
|x 1
920 1 _ |0 I:(DE-H253)FS-LA-20130416
|k FS-LA
|l Laser Forschung und Entwicklung
|x 2
920 1 _ |0 I:(DE-H253)HAS-User-20120731
|k DOOR ; HAS-User
|l DOOR-User
|x 3
920 1 _ |0 I:(DE-H253)FS-CFEL-CMI-20220405
|k FS-CFEL-CMI
|l CFEL-CMI
|x 4
980 _ _ |a journal
980 _ _ |a VDB
980 _ _ |a UNRESTRICTED
980 _ _ |a I:(DE-H253)FS-ATTO-20170403
980 _ _ |a I:(DE-H253)FS-FLASH-D-20160930
980 _ _ |a I:(DE-H253)FS-LA-20130416
980 _ _ |a I:(DE-H253)HAS-User-20120731
980 _ _ |a I:(DE-H253)FS-CFEL-CMI-20220405
980 1 _ |a FullTexts

LibraryCollectionCLSMajorCLSMinorLanguageAuthor
Marc 21