Table 2. Relevant Processes of Cu(I) Adduct Formation/Dissociation Investigated by DFT.
# | process | |
---|---|---|
1 | Cu(I)(CO) formation | ZCu(I) + CO → ZCu(I)(CO) |
2 | Cu(I)(CO)2 formation | ZCu(I)(CO) + CO → ZCu(I)(CO)2 |
3 | Cu(I)(NH3) formation | ZCu(I) + NH3 → ZCu(I)(NH3) |
4 | Cu(I)(CO)(NH3) formation | ZCu(I)(NH3) + CO → ZCu(I)(CO)(NH3) |