Table 1. Mulliken populations (in a.u.) for each of the six ligands in compound 1.
|
Liganda |
q |
|
Carbene |
-0.215 |
|
CO(1) |
-0.368 |
|
CO(2) |
-0.318 |
|
CO(3) |
-0.322 |
|
CO(4) |
-0.322 |
|
CO(5) |
-0.332 |
a
Labels for each CO are as depicted in Figure 2.
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