119th General Meeting of the KCS

Type Symposium
Area Chemical Application of X-ray Free Electron Laser (XFEL)
Room No. 304호
Time FRI 10:20-:
Code PHYS2-4
Subject Element Specific Probing of Transient Species Using Time-Resolved X-ray Spectroscopy
Authors 마로리, 김태규*
부산대학교 화학과, Korea
Abstract Ultrafast core-level spectroscopy is unique in its ability to probe transient states of matter with chemical specificity of single atom species by exciting core-level transitions from highly localized initial states. This allows atom-specific views of valence charge density depending on the probed atomic species. Recent progresses in ab initio calculations of core-level spectra provide new interpretations with details on the transient structure and valence charge density of a molecular system. Here we have employed ultrafast X-ray spectroscopic method to probe the valence charge density of first-row transition metal complexes in solution via metal 2p- and nitrogen 1s-spectroscopies. The former directly probes the spin-state and valence charge density of the metal and its immediate chemical environment on ultrafast time-scales by dipole 2p → 3d transitions. On the other hand, the latter provides a “ligand view” of the valence charge density dynamics. These measurements are compared with ab-initio density functional theory (DFT) calculations. These approaches give the way to obtain comprehensive pictures of valence charge densities of transient species. The possible applications of ultrafast core-level spectroscopy at X-ray free electron lasers will be discussed.
E-mail tkkim@pusan.ac.kr