119th General Meeting of the KCS

Type Poster Presentation
Area 물리화학
Room No. 포스터발표장
Time 4월 20일 (목요일) 11:00~12:30
Code PHYS.P-21
Subject Time-Resolved X-ray Absorption Spectroscopy of Charge Transfer Dynamics of Solvated Ru polypyridyl complex
Authors 마로리, 김태규*
부산대학교 화학과, Korea
Abstract Time-Resolved X-ray Absorption Spectroscopy (TR-XAS) is a special tool to investigate molecular dynamics. It also has become possible to observe the transient chemical reactions on fundamental timescale. Ru-based polypyridyl complexes are used in various fields as solar energy conversion, artificial photosynthetic systems and optical sensing. We directly observed the transient 3dd state of ruthenium-based dye molecule, which is [Ru(m-bpy)3]]2+ (m-bpy = 6-methyl- 2,2′-bipyridine) in liquid phase, by means of ultrafast transient XANES spectroscopy at Ru L3- and K-edge regions at ALS beamline. Besides we performed the time-dependent density functional theory calculations of Ru 2p core-level excitations to visualize the movement of charge density around the Ru atom and the surrounding ligands. To determine the structural parameter changes in Ru-N bond of [Ru(m-bpy)3]2+ during the 3dd process, we have performed the analysis of transient EXAFS spectra at K-edge region of Ru at KEK beamlime. We find that not only the stabilization of Ru 2p core and 4d valence orbitals, respectively, from L3-edge XANES spectroscopy but also the difference of bond distance of Ru–N and Ru–Nmethyl bonds by 0.01 and 0.03 Å, respectively, from K-edge EXAFS spectroscopy.
E-mail rory6847@gmail.com