Advanced X-Ray Spectroscopy
Advanced X-ray Spectroscopy Serena DeBeer Penn State Bioinorganic Workshop Max-Planck-Institut für Chemische Energiekonversion June 2016 Understanding Catalytic Connections... Key Reactions in Energy Research heterogeneous catalysts How can sustainable, earth-abundant base metals enable the activation of homogeneous biological strong chemical bonds? catalysts catalysts Requires an atomic level understanding of the geometric and electronic structure changes which occur over the course of catalysis. X-ray Spectroscopy X-ray Absorption Spectroscopy 4p (XAS) 3d 2p Energy (eV) 2s X-ray Emission Energy Spectroscopy 3p (XES) 2s/2p Kα1 Kβ1,3 Kα2 Kβ2,5 1s Kβ” Metal Ligand Kβ’ Intensity Energy (eV) A High-Energy Resolution XES Setup The increased resolution of modern setups, increased sensitivity and developments in theory have opened up all new chemical applications… Glatzel, P.; Bergmann, U. Coord. Chem. Rev 2005, 249, 65. Smolentsev, G.; Soldatov, A. V.; Messinger, J.; Merz, K.; Weyhermueller, T.; Bergmann, U.; Pushkar, Y.; Yano, J.; Yachandra, V. K.; Glatzel, P., JACS, 2009, 131, 13161. Lee, N.; Petrenko, T.; Bergmann, U.; Neese, F.; DeBeer, S., JACS, 2010, 132, 9715. Figure J. A. Rees Pushkar, Y.; Long, X.; Glatzel, P.; Brudvig, G. W.; Dismukes, G. C.; Collins, T. J.; Yachandra, V. K.; Yano, J.; Bergmann, U. ACIES, 2010, 49, 800. Lancaster, K. M.; Roemelt, M.; Ettenhuber, P.; Hu, Y.; Ribbe, M. W.; Neese, F.; Bergmann, U.; DeBeer, S. Science 2011, 334, 974. α α -SOC +SOC β β β X-Ray Emission Spectra αβ β N. Lee, T. Petrenko, U. Bergmann, F. Neese, S. DeBeer, J. Am. Chem. Soc., 2010, 132, 9715-9727.
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