We investigate the Au(iii)-CO bond in the [(C∧N∧C)Au(iii)CO]+ complex via charge-displacement (CD) analysis, revealing surprising peculiarities with respect to the Au(i)-CO bond. It shows a large Au(iii) ← CO σ donation and, unexpectedly, an even larger Au(iii) → CO π back-donation. The overall bonding picture, including a marked anisotropy in the Au(iii) → CO in-plane and out-of-plane π back-donation components, is consistent with a CO carbon atom highly susceptible to nucleophilic attack.
Bibliographical noteFunding Information:
This work was supported by MIUR (Italy) within the program FIRB-Futuro in Ricerca (RBFR1022UQ).