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000619702 1001_ $$0P:(DE-H253)PIP1087484$$aMayer, D.$$b0
000619702 245__ $$aFollowing excited-state chemical shifts in molecular ultrafast x-ray photoelectron spectroscopy
000619702 260__ $$c2021
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000619702 520__ $$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 new 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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000619702 536__ $$0G:(DE-HGF)2020_HIRS-0018$$aHIRS-0018 - Helmholtz-Lund International School - Intelligent instrumentation for exploring matter at different time and length scales (HELIOS) (2020_HIRS-0018)$$c2020_HIRS-0018$$x2
000619702 536__ $$0G:(EU-Grant)637756$$aSTARLIGHT - Steering attosecond electron dynamics in biomolecules with UV-XUV LIGHT pulses (637756)$$c637756$$fERC-2014-STG$$x3
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000619702 7001_ $$aLever, F.$$b1
000619702 7001_ $$0P:(DE-H253)PIP1112362$$aPicconi, David$$b2$$eCorresponding author
000619702 7001_ $$aMetje, J.$$b3
000619702 7001_ $$0P:(DE-H253)PIP1032739$$aAlisauskas, S.$$b4
000619702 7001_ $$0P:(DE-H253)PIP1023238$$aCalegari, F.$$b5
000619702 7001_ $$0P:(DE-H253)PIP1002687$$aDüsterer, S.$$b6
000619702 7001_ $$aEhlert, C.$$b7
000619702 7001_ $$aFeifel, R.$$b8
000619702 7001_ $$aNiebuhr, M.$$b9
000619702 7001_ $$aManschwetus, B.$$b10
000619702 7001_ $$aKuhlmann, M.$$b11
000619702 7001_ $$aMazza, T.$$b12
000619702 7001_ $$aRobinson, M. S.$$b13
000619702 7001_ $$aSquibb, R. J.$$b14
000619702 7001_ $$aTrabattoni, A.$$b15
000619702 7001_ $$aWallner, M.$$b16
000619702 7001_ $$aSaalfrank, P.$$b17
000619702 7001_ $$0P:(DE-H253)PIP1087880$$aWolf, T. J. A.$$b18
000619702 7001_ $$aGühr, M.$$b19
000619702 8564_ $$uhttps://arxiv.org/abs/2102.13431
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