{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"submitter":["Schaffner D"],"funding":["Studienstiftung des Deutschen Volkes","Deutsche Forschungsgemeinschaft","Fonds der Chemischen Industrie","Centre National de la Recherche Scientifique"],"pubmed_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 <i>τ</i> <sub>1</sub> ≈ 0.3 ps and <i>τ</i> <sub>2</sub> ≈ 3 ps were determined. The excited-state dynamics was simulated using the trajectory surface hopping method and computed TR-XAS"],"journal":["Chemical science"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC12573282"],"repository":["biostudies-literature"],"pubmed_title":["Time-resolved X-ray spectroscopy of phenanthridine: elucidating the photodynamics of a nitrogen-containing polycyclic aromatic hydrocarbon."],"pmcid":["PMC12573282"],"funding_grant_id":["MI 236/6-1","FI 575/16-1","Go To XFEL program"],"pubmed_authors":["Diemer K","Barreau L","Schaffner D","Xie X","Mayer D","Knopp G","Poisson L","Al Haddad A","Scognamiglio A","Flock M","Mitric R","Sarracini A","Schnorr K","Miao X","Karaev E","Schouder C","Theil K","Fischer I","Hemberger P"],"additional_accession":[]},"is_claimable":false,"name":"Time-resolved X-ray spectroscopy of phenanthridine: elucidating the photodynamics of a nitrogen-containing polycyclic aromatic hydrocarbon.","description":"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> <sub>1</sub> ≈ 0.3 ps and <i>τ</i> <sub>2</sub> ≈ 3 ps were determined. The excited-state dynamics was simulated using the trajectory surface hopping method and computed TR-XAS","dates":{"release":"2025-01-01T00:00:00Z","publication":"2025 Oct","modification":"2026-06-05T22:27:47.758Z","creation":"2026-05-22T03:15:50.618Z"},"accession":"S-EPMC12573282","cross_references":{"pubmed":["41181235"],"doi":["10.1039/d5sc03745j"]}}