Table 2.
Mulliken spin density distribution
| Complex | Cu | Oinner | Oouter | 4 × N | Rest |
|---|---|---|---|---|---|
| 1 | 0.53 | — | — | 0.43 | 0.05 |
| 2 | 0.51 | 0.25 | 0.00 | 0.24 | 0.00 |
| 3a | 0.51 | 0.26 | −0.01 | 0.23 | 0.01 |
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