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000473646 245__ $$aFollowing excited-state chemical shifts in molecular ultrafast x-ray photoelectron spectroscopy
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000473646 520__ $$aThe 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.
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000473646 536__ $$0G:(EU-Grant)637756$$aSTARLIGHT - Steering attosecond electron dynamics in biomolecules with UV-XUV LIGHT pulses (637756)$$c637756$$fERC-2014-STG$$x3
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000473646 7001_ $$aLever, F.$$b1
000473646 7001_ $$0P:(DE-HGF)0$$aPicconi, D.$$b2$$eCorresponding author
000473646 7001_ $$aMetje, J.$$b3
000473646 7001_ $$0P:(DE-H253)PIP1032739$$aAlisauskas, S.$$b4
000473646 7001_ $$0P:(DE-H253)PIP1023238$$aCalegari, F.$$b5
000473646 7001_ $$0P:(DE-H253)PIP1002687$$aDüsterer, S.$$b6
000473646 7001_ $$0P:(DE-H253)PIP1012753$$aEhlert, C.$$b7
000473646 7001_ $$0P:(DE-H253)PIP1009717$$aFeifel, R.$$b8
000473646 7001_ $$aNiebuhr, M.$$b9
000473646 7001_ $$0P:(DE-H253)PIP1025415$$aManschwetus, B.$$b10
000473646 7001_ $$0P:(DE-H253)PIP1003607$$aKuhlmann, M.$$b11
000473646 7001_ $$0P:(DE-H253)PIP1013759$$aMazza, T.$$b12
000473646 7001_ $$0P:(DE-H253)PIP1084984$$aRobinson, M. S.$$b13
000473646 7001_ $$0P:(DE-H253)PIP1088196$$aSquibb, R. J.$$b14
000473646 7001_ $$0P:(DE-H253)PIP1028302$$aTrabattoni, A.$$b15
000473646 7001_ $$0P:(DE-H253)PIP1088217$$aWallner, M.$$b16
000473646 7001_ $$aSaalfrank, P.$$b17
000473646 7001_ $$0P:(DE-H253)PIP1087880$$aWolf, T. J. A.$$b18
000473646 7001_ $$0P:(DE-H253)PIP1084094$$aGühr, M.$$b19$$eCorresponding author
000473646 773__ $$0PERI:(DE-600)2553671-0$$a10.1038/s41467-021-27908-y$$gVol. 13, no. 1, p. 198$$n1$$p198$$tNature Communications$$v13$$x2041-1723$$y2022
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