Bonding, Luminescence, Metallophilicity in Linear Au-3 and Au2Ag Chains Stabilized by Rigid Diphosphanyl NHC Ligands

The nature of the emitting states and their geometric distortions relative to the ground states in [Au3L2](3+) and [Au2L2](2+) was studied by DFT, revealing contraction of the AuAu distances and coordination geometry changes by association of the dangling P donor, respectively.