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| Type |
Poster Presentation |
| Area |
Physical Chemistry |
| Room No. |
Exhibition Hall 2+3 |
| Time |
10월 20일 (금요일) 13:00~14:30 |
| Code |
PHYS.P-78 |
| Subject |
Dynamics of mimic complex of [FeFe]-hydrogenase by using time-resolved wide angle x-ray scattering |
| Authors |
Rory Ma, TaeKyu Kim*
Department of Chemistry, Pusan National University, Korea
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| Abstract |
Water splitting to generate hydrogen becomes significant means of producing renewable energy and transporting energy. A number of efforts have investigated to synthesize and understand catalyst for the hydrogen evolution reaction and verify their reaction mechanism. One of the catalyst, hydrogenase, is the most active targets which is natural enzyme for hydrogen production. Hydrogenases can be classified as [NiFe], [FeFe] and [Fe] hydrogenase. One of those series has the active site containing the “butterfly” Fe2S2 group system which has been investigated in wide range. Roughly, our target complex has the bridging dithiolate species at binuclear iron metal centers, as well as six CO ligands. In this study, we demonstrate dynamics of Fe2(μ-S2C3H6)(CO)6 using time-resolved wide angle x-ray scattering (TR-WAXS) measurements of 500 nm at the ID09B beamline of ESRF with 40 mM iron sample in acetonitrile. To support the experimental data and probe there kinetics, we have calculated optimized structure and MD simulation. To indicate multipath dynamics, we perform the global fitting. Our results show that the transient scattering intensities ofFe2(μ-S2C3H6)(CO)6 complex is measurable although this complex does not contain any high-scattered atom. Our results have shown the reaction pathways occur upon excitation with UV or visible light which involves excitation to a short-lived (τ = 150 ps) excited state with an elongated Fe−Fe bond. Another minor pathway involves a long-lived loss of a CO ligand within several μs. |
| E-mail |
rory10@nate.com |
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120th General Meeting of the KCS