Matches in SemOpenAlex for { <https://semopenalex.org/work/W2547516730> ?p ?o ?g. }
- W2547516730 endingPage "11706" @default.
- W2547516730 startingPage "11694" @default.
- W2547516730 abstract "High-energy-resolution-fluorescence-detected X-ray absorption near-edge structure (HERFD-XANES) spectroscopy is shown to be a sensitive tool to investigate the electronic changes of copper complexes induced by geometric distortions caused by the ligand backbone as a model for the entatic state. To fully exploit the information contained in the spectra gained by the high-energy-resolution technique, (time-dependent) density functional theory calculations based on plane-wave and localized orbital basis sets are performed, which in combination allow the complete spectral range from the prepeak to the first resonances above the edge step to be covered. Thus, spectral changes upon oxidation and geometry distortion in the copper N-(1,3-dimethylimidazolidin-2-ylidene)quinolin-8-amine (DMEGqu) complexes [CuI(DMEGqu)2](PF6) and [CuII(DMEGqu)2](OTf)2·MeCN can be accessed." @default.
- W2547516730 created "2016-11-11" @default.
- W2547516730 creator A5003518701 @default.
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- W2547516730 creator A5071311557 @default.
- W2547516730 creator A5089574990 @default.
- W2547516730 date "2016-11-04" @default.
- W2547516730 modified "2023-10-16" @default.
- W2547516730 title "Experimental and Theoretical High-Energy-Resolution X-ray Absorption Spectroscopy: Implications for the Investigation of the Entatic State" @default.
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