Table 1.
XANES structural parameters for porphyrinic cobalt moieties
| Row nbr. | Moiety | Co-N/Å | Co–O/Å | Bending/° | Rsq |
|---|---|---|---|---|---|
| CoN 4 C 12 | |||||
| 1 | 4-fold | 1.96 (2) | — | — | 1.12 |
| 2 | 5-fold | 1.97 (3) | 2.23 (5) | 33 (6) | 1.08 |
| CoN 3 C 10,porp | |||||
| 3 | 3-fold | 1.96 (3) | — | — | 1.16 |
| 4 | 4-fold | 1.99 (3) | 1.86 (4) | 32 (7) | 1.05 |
| CoN 2 C 5 | |||||
| 5 | 2-fold | 1.96 (3) | — | — | 1.98 |
| 6 | 3-fold | 2.01 (4) | 1.90 (4) | 50 (5) | 1.13 |
Abbreviation: XANES, X-ray absorption near-edge structure
Best-fit structural parameters obtained from the analysis of the XANES spectrum of Co0.5 performed on the structures proposed in this work and depicted in Fig. 3. Bending is the angle between the Co–O vector and the O-O bond and Rsq is the residual function. Errors are given in parentheses