L-edge sum rule analysis on 3d transition metal sites: from d10 to d0 and towards application to extremely dilute metallo-enzymes

L-edge sum rule analysis on 3d transition metal sites: from d10 to d0 and towards application to extremely dilute metallo-enzymes

According to L-edge sum rules, the number of 3d vacancies at a transition metal site is directly proportional to the integrated intensity of the L-edge X-ray absorption spectrum (XAS) for the corresponding metal complex. In this study, the numbers of 3d holes are characterized quantitatively or semi...

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Veröffentlicht in:Physical chemistry chemical physics : PCCP 2018-03, Vol.20 (12), p.8166-8176
Hauptverfasser: Wang, Hongxin, Friedrich, Stephan, Li, Lei, Mao, Ziliang, Ge, Pinghua, Balasubramanian, Mahalingam, Patil, Daulat S
Format: Artikel
Sprache:eng
Schlagworte:
Absorption spectra
Biological properties
Configurations
Coordination compounds
Copper
Dilution
Enzymes
INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Manganese
Metallography
Nickel
Proteins
Sum rules
Superconductivity
Uncertainty analysis
X ray detectors
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Zusammenfassung:According to L-edge sum rules, the number of 3d vacancies at a transition metal site is directly proportional to the integrated intensity of the L-edge X-ray absorption spectrum (XAS) for the corresponding metal complex. In this study, the numbers of 3d holes are characterized quantitatively or semi-quantitatively for a series of manganese (Mn) and nickel (Ni) complexes, including the electron configurations 3d10 → 3d0. In addition, extremely dilute (
ISSN:1463-9076
1463-9084
DOI:10.1039/c7cp06624d