Metallophilic interactions in silver( i ) dicyanoaurate complexes

This is the authors' abstract. We don't add key points for this paper.

anion bridges two Ag(terpy) fragments. In this complex an infinite array of gold atoms is found, exhibiting aurophilic interactions of 3.415 Å. In complex 4 the 3D architecture observed in the crystal packing is driven by Au⋯Au and Au⋯Ag metallophilic interactions. All compounds have been structurally and vibrationally characterized to better understand the crystal forces. In addition, a solution chemistry study in different solvents by ESI-MS spectrometry was performed to comprehend the speciation and solvent effects. Finally, DFT calculations were carried out to analyze the Ag⋯Au interactions and also the π-stacking interactions that are relevant in the crystal packing of some structures. Special attention has been paid to the bifurcated nature of the Au⋯Ag,Ag interactions in compound 1 that has been analyzed theoretically using the quantum theory of atoms-in-molecules (QTAIM) and the Natural Bond Orbital (NBO) computational tools.