Journal Article

PUBDB-2025-04771

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Time-resolved X-ray spectroscopy of phenanthridine: elucidating the photodynamics of a nitrogen-containing polycyclic aromatic hydrocarbon

Schaffner, D.Extern* ; Diemer, K. ; Miao, X. ; Karaev, E. ; Flock, M. ; Theil, K.Extern* ; Schouder, C.Extern* ; Scognamiglio, A.Extern*XFEL.EU* ; Barreau, L.Extern*XFEL.EU* ; Poisson, L.Extern*XFEL.EU* ; Mayer, D.Extern*DESY* ; Al Haddad, A.Extern*XFEL.EU* ; Sarracini, A.Extern* ; Knopp, G.Extern*XFEL.EU* ; Xie, X.Extern* ; Hemberger, P. ; Schnorr, K.Extern* ; Mitric, R. (Corresponding author) ; Fischer, I. (Corresponding author)Extern*

2025
RSC Cambridge

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Please use a persistent id in citations: doi:10.1039/D5SC03745J  doi:10.3204/PUBDB-2025-04771

Abstract: The photophysics and photochemistry of isolated phenanthridine have been investigated by time-resolved UV pump/X-ray probe spectroscopy at the SwissFEL free-electron laser combined with computations. Phenanthridine serves as the example for a polycyclic aromatic nitrogen-containing hydrocarbon (PANH), a class of molecules of considerable interest in material science and astrochemistry. It was excited at 268 nm into the bright 2ππ* state. The dynamics was subsequently probed by time-resolved X-ray photoelectron (TR-XPS) and X-ray absorption (TR-XAS) spectroscopy at the nitrogen 1s edge. Two time constants of τ1 ≈ 0.3 ps and τ2 ≈ 3 ps were determined. The excited-state dynamics was simulated using the trajectory surface hopping method and computed TR-XAS to support the band assignments. The study reveals a sequential decay to the electronic ground state via internal conversion. Spectra recorded over longer delay times indicate a dissociation on a time scale of several hundred picoseconds.

Note: Deutsche Forschungsgemeinschaft, contracts FI575/16-1 and MI1236/6-1.

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Contributing Institute(s):

1. FS-FLASH (FS-FLASH)

Research Program(s):

1. 631 - Matter – Dynamics, Mechanisms and Control (POF4-631) (POF4-631)

Experiment(s):

1. Measurement at external facility

Appears in the scientific report 2025

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Database coverage:
; ; ; ; Chemical Reactions ; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; DOAJ Seal ; Essential Science Indicators ; IF >= 5 ; Index Chemicus ; JCR ; National-Konsortium ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection

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