biostudies-literatureUnknownSchaffner DStudienstiftung des Deutschen VolkesDeutsche ForschungsgemeinschaftFonds der Chemischen IndustrieCentre National de la Recherche ScientifiqueThe 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 <i>τ</i> ₁ ≈ 0.3 ps and <i>τ</i> ₂ ≈ 3 ps were determined. The excited-state dynamics was simulated using the trajectory surface hopping method and computed TR-XASChemical sciencehttps://www.ebi.ac.uk/biostudies/studies/S-EPMC12573282biostudies-literatureTime-resolved X-ray spectroscopy of phenanthridine: elucidating the photodynamics of a nitrogen-containing polycyclic aromatic hydrocarbon.PMC12573282MI 236/6-1FI 575/16-1Go To XFEL programDiemer KBarreau LSchaffner DXie XMayer DKnopp GPoisson LAl Haddad AScognamiglio AFlock MMitric RSarracini ASchnorr KMiao XKaraev ESchouder CTheil KFischer IHemberger PfalseTime-resolved X-ray spectroscopy of phenanthridine: elucidating the photodynamics of a nitrogen-containing polycyclic aromatic hydrocarbon.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 <i>τ</i> ₁ ≈ 0.3 ps and <i>τ</i> ₂ ≈ 3 ps were determined. The excited-state dynamics was simulated using the trajectory surface hopping method and computed TR-XAS2025-01-01T00:00:00Z2025 Oct2026-06-05T22:27:47.758Z2026-05-22T03:15:50.618ZS-EPMC125732824118123510.1039/d5sc03745j