|
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 |
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