Table 2.
Summary of the Fe and Zn EXAFS simulation results for Fe/Zn-loaded CPSF30.
| Nearest Neighbor Ligands a | Long Range Ligands b | ||||||||
|---|---|---|---|---|---|---|---|---|---|
| Metal | Atom c | R (Å)d | C.N e | σ2 f | Atom c | R (Å)d | C.N e | σ2 f | F’ g |
| Fe | O/N | 2.01 | 1.5 | 0.5 | Fe | 2.69 | 0.5 | 2.6 | 1.2 |
| S | 2.27 | 2.0 | 5.1 | C | 3.92 | 2.0 | 1.4 | ||
| Zn | O/N | 2.06 | 1.0 | 5.7 | C | 3.15 | 3.0 | 4.7 | 1.0 |
| S | 2.31 | 3.0 | 3.4 | C | 3.95 | 3.0 | 1.2 | ||
a,b
- Independent metal-ligand scattering environment.
c
- Scattering atoms: N (nitrogen), O (oxygen), C (carbon), S (sulfur).
d
- Average metal-ligand bond length.
e
- Average metal-ligand coordination number.
f
- Average Debye-Waller factor (Å2 x 103).
g
- Number of degrees of freedom weighted mean square deviation between data and fit.