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. 2022 Apr 28;14(18):21059–21068. doi: 10.1021/acsami.2c03370

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)