Fig. 5. Comparison of the Fe K-edge EXAFS of DT-reduced ΔHΔZNifD2K2 (top) and ΔHΔZNifD2K2W2 (bottom) experimental spectra (black) and respective best fit models with (blue, dashed) and without (red, dashed) inclusion of an Fe–O/N scattering path contribution (green, solid). Corresponding fit parameters are provided in Table S1.† Spectra are k3-weighted, and FTs were performed for a k-range of 3–13 Å. Fits were performed using k3-weighting over ranges of k = 3–13 Å−1 and R = 1–3 Å.
