Probing the oxidation state of transition metal complexes: a case study on how charge and spin densities determine Mn L-edge X-ray absorption energies

Kubin, Markus; Guo, Meiyuan; Kroll, Thomas; Löchel, Heike; Källman, Erik; Baker, Michael L.; Mitzner, Rolf; Gul, Sheraz; Kern, Jan; Föhlisch, Alexander; Erko, Alexei; Bergmann, Uwe; Yachandra, Vittal; Yano, Junko; Lundberg, Marcus; Wernet, Philippe

doi:10.1039/C8SC00550H

Title: Probing the oxidation state of transition metal complexes: a case study on how charge and spin densities determine Mn L-edge X-ray absorption energies

Journal Article · 17 July 2018 · Chemical Science

DOI: https://doi.org/10.1039/C8SC00550H · OSTI ID:1461356

^[1];

^[2]; Kroll, Thomas ^[3]; Löchel, Heike ^[4]; Källman, Erik ^[2];

^[5]; Mitzner, Rolf ^[1];

^[6];

^[7];

^[8]; Erko, Alexei ^[4];

^[9]; Yachandra, Vittal ^[6];

^[6];

^[2];

^[1]

Institute for Methods and Instrumentation for Synchrotron Radiation Research; Helmholtz-Zentrum Berlin für Materialien und Energie GmbH; 12489 Berlin; Germany
Department of Chemistry-Ångström Laboratory; Uppsala University; Sweden
SSRL; SLAC National Accelerator Laboratory; Menlo Park; USA
Institute for Nanometre Optics and Technology; Helmholtz-Zentrum Berlin für Materialien und Energie GmbH; 12489 Berlin; Germany
The School of Chemistry; The University of Manchester at Harwell; OX11 OFA; UK
Molecular Biophysics and Integrated Bioimaging Division; Lawrence Berkeley National Laboratory; Berkeley; USA
Molecular Biophysics and Integrated Bioimaging Division; Lawrence Berkeley National Laboratory; Berkeley; USA; LCLS
Institute for Methods and Instrumentation for Synchrotron Radiation Research; Helmholtz-Zentrum Berlin für Materialien und Energie GmbH; 12489 Berlin; Germany; Institut für Physik und Astronomie
Stanford PULSE Institute; SLAC National Accelerator Laboratory; Menlo Park; USA

A combined experimental and theoretical approach reveals correlations of metal L-edge X-ray absorption energies to local charge and spin densities.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)

Sponsoring Organization:: Human Frontier Science Program (HFSP), Strasbourg (France); Knut and Alice Wallenberg Foundation (Sweden); National Inst. of Health (NIH); Swedish Research Council (SRC); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Chemical Sciences, Geosciences & Biosciences Division; USDOE Office of Science (SC), Biological and Environmental Research (BER) (SC-23)

Grant/Contract Number:: AC02-05CH11231; AC02-76SF00515

OSTI ID:: 1461356

Journal Information:: Chemical Science, Journal Name: Chemical Science Journal Issue: 33 Vol. 9; ISSN 2041-6520; ISSN CSHCBM

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United Kingdom

Language:: English

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