Fig. 3 | Nature Communications

Fig. 3

From: Coordination mode engineering in stacked-nanosheet metal–organic frameworks to enhance catalytic reactivity and structural robustness

Fig. 3

Structural characterisation by EXAFS and XANES spectroscopy. a Fourier transformed magnitudes of the experimental K-edge EXAFS signals for HKUST-1 and CASFZU-1 samples before and after dehydration (denoted as CASFZU-1-dehy). The Fourier transforms are not corrected for phase shift. The origin assignment for the EXAFS peaks is given in Supplementary Figure 26. b, c Cu K-edge EXAFS analysis of CASFZU-1 after dehydration in k and R spaces, respectively. Curves from top to bottom are the single backscattering signal χ2 and double scattering signal χ3 included in the fit, and the total signal (red line) superimposed on the experimental signal (black line). The inset shows the structure of the hydrated [Cu2C4O8](H2O)2 moiety used for simulation of the EXAFS signals. d The experimental Cu K-edge XANES spectra. e–g Comparison between the experimental XANES spectra (black dotted lines) and the best-fit theoretical spectra with the depicted structural models (solid red lines). e The hydrated [Cu2C4O8](H2O)2 cage. f The defective three-coordinated [Cu2C3O6](H2O)3OH cage. g The dehydrated three-coordinated [Cu2C3O6]OH paddlewheel model, where one of the two coordinatively unsaturated Cu atoms is directly bound by one hydroxide anion, OH−. Colour scheme for chemical representation: cyan, Cu; red, O; grey, C and white, H

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