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  Ultrafast dynamics of adenine following XUV ionization

Månsson, E. P., Latini, S., Covito, F., Wanie, V., Galli, M., Perfetto, E., et al. (2022). Ultrafast dynamics of adenine following XUV ionization. Journal of Physics: Photonics, 4(3): 034003. doi:10.1088/2515-7647/ac6ea5.

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© The Author(s). Published by IOP Publishing Ltd

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https://doi.org/10.1088/2515-7647/ac6ea5 (Publisher version)
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 Creators:
Månsson, E. P.1, 2, Author
Latini, S.3, 4, Author           
Covito, F.3, 4, Author           
Wanie, V.1, 2, 5, Author
Galli, M.1, 6, Author
Perfetto, E.7, 8, Author
Stefanucci, G.8, 9, Author
de Giovannini, U.3, 4, 10, Author           
Castrovilli, M. C.2, 11, Author
Trabattoni, A.1, Author
Frassetto, F.2, Author
Poletto, L.2, Author
Greenwood, J. B.12, Author
Légaré, F.5, Author
Nisoli, Mauro2, 6, Author
Rubio, A.3, 4, 13, Author           
Calegari, F.1, 2, 14, Author
Affiliations:
1Center for Free-Electron Laser Science CFEL, Deutsches Elektronen-Synchrotron DESY, ou_persistent22              
2Institute for Photonics and Nanotechnologies CNR-IFN, ou_persistent22              
3Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_2266715              
4Center for Free-Electron Laser Science, ou_persistent22              
5INRS-EMT, Canada, ou_persistent22              
6Department of Physics, Politecnico di Milano, ou_persistent22              
7CNR-ISM, Division of Ultrafast Processes in Materials (FLASHit), ou_persistent22              
8Dipartimento di Fisica, Università di Roma Tor Vergata, ou_persistent22              
9INFN, Sezione di Roma Tor Vergata, ou_persistent22              
10Dipartimento di Fisica e Chimica, Università degli Studi di Palermo, ou_persistent22              
11Istituto di Struttura della Materia-CNR (ISM-CNR), ou_persistent22              
12Centre for Plasma Physics, School of Maths and Physics, Queen's University Belfast, ou_persistent22              
13Center for Computational Quantum Physics (CCQ), The Flatiron Institute, ou_persistent22              
14Institut für Experimentalphysik, Universität Hamburg, ou_persistent22              

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 Abstract: The dynamics of biologically relevant molecules exposed to ionizing radiation contains many facets and spans several orders of magnitude in time and energy. In the extreme ultraviolet (XUV) spectral range, multi-electronic phenomena and bands of correlated states with inner-valence holes must be accounted for in addition to a plethora of vibrational modes and available dissociation channels. The ability to track changes in charge density and bond length during ultrafast reactions is an important endeavor toward more general abilities to simulate and control photochemical processes, possibly inspired by those that have evolved biologically. By using attosecond XUV pulses extending up to 35 eV and few-femtosecond near-infrared pulses, we have previously time-resolved correlated electronic dynamics and charge migration occurring in the biologically relevant molecule adenine after XUV-induced sudden ionization. Here, using additional experimental data, we comprehensively report on both electronic and vibrational dynamics of this nucleobase in an energy range little explored to date with high temporal resolution. The time-dependent yields of parent and fragment ions in the mass spectra are analyzed to extract exponential time constants and oscillation periods. Together with time-dependent density functional theory and ab-initio Green's function methods, we identify different vibrational and electronic processes. Beyond providing further insights into the XUV-induced dynamics of an important nucleobase, our work demonstrates that yields of specific dissociation outcomes can be influenced by sufficiently well-timed ultrashort pulses, therefore providing a new route for the control of the multi-electronic and dissociative dynamics of a DNA building block.

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Language(s): eng - English
 Dates: 2022-02-102022-05-112022-05-30
 Publication Status: Published online
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1088/2515-7647/ac6ea5
 Degree: -

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Project name : -
Grant ID : 676598
Funding program : Horizon 2020 (H2020)
Funding organization : European Commission (EC)
Project name : -
Grant ID : 654360
Funding program : Horizon 2020 (H2020)
Funding organization : European Commission (EC)
Project name : F Ca acknowledges support from the European Research Council under the ERC-2014-StG STARLIGHT (Grant Agreement No. 637756). F Ca and A R acknowledge support from the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation)—SFB-925—Project 170620586 and the Cluster of Excellence Advanced Imaging of Matter (AIM). F L and V W acknowledge the Fonds de recherche du Québec—Nature et technologies (FRQNT) and the National Science and Engineering Research Council (NSERC). V W acknowledges support from the Vanier Canada Graduate Scholarship (Vanier CGS) program. A T acknowledges support from the Helmholtz association under the Helmholtz Young Investigator Group VH-NG-1613. S L acknowledges support from the Alexander von Humboldt foundation. A R acknowledge financial support from the European Research Council (ERC-2015-AdG-694097). The Flatiron Institute is a division of the Simons Foundation. G S and E P acknowledge EC funding through the RISE Co-ExAN (Grant No. GA644076), the European Union project MaX Materials design at the eXascale H2020-EINFRA-2015-1, Grant Agreement No. 676598, Nanoscience Foundries and Fine Analysis-Europe H2020-INFRAIA-2014-2015, Grant Agreement No. 654360 and Tor Vergata University for financial support through the Mission Sustainability Project 2DUTOPI. E P, G S and M N acknowledge funding from MIUR PRIN, Grant No. 20173B72NB. J B G acknowledge support from the EPSRC (UK) Grant Number EP/M001644/1.
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Source 1

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Title: Journal of Physics: Photonics
  Abbreviation : JPhys Photonics
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: IOP Publishing
Pages: - Volume / Issue: 4 (3) Sequence Number: 034003 Start / End Page: - Identifier: ISSN: 2515-7647
CoNE: https://pure.mpg.de/cone/journals/resource/2515-7647