2025/01/01 by Lorenzo Restaino, Thomas Schnappinger, Markus Kowalewski · 1 voice
Biochemistry, Genetics and Molecular Biology · Materials Science · Physics and Astronomy · #Electron Spin Resonance Studies #Magnetism in coordination complexes #X-ray Spectroscopy and Fluorescence Analysis
paper · pdf · doi:10.1039/d5cp03072b
openalex publication_date 2025/01/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/30
-methylbenzophenone utilizing spectroscopy techniques. Based on a full quantum mechanical description of the nonadiabatic dynamics, we simulate both time-dependent X-ray absorption and off-resonant-stimulated X-ray Raman spectra at the oxygen K-edge. We show that the use of time-resolved X-ray spectroscopy allows for a selective probing of the first singlet excited state by filtering out signals from other excited states with different electronic character. The element sensitivity of oxygen core level spectroscopy restricts the sensitivity to nonadiabatic processes localized at the carbonyl double bond.