Nitrogen- and phosphine-binding ligands in interaction with gold atoms, clusters, nanoparticles and surfaces

Ligand-protected gold nanoparticles show interesting and promising properties for various applications such diverse as biomedicine, catalysis, photonics or nanoelectronics. The understanding of the interaction at the interface is essential to optimize and control properties. In order to understand the binding nature of ligand-gold interfaces over a large size range of the gold system, ligand binding on atoms, clusters, nanoparticles and surfaces has been discussed. Special focus of this chapter lies in nitrogen- and phosphine-binding ligands whereby pyridine and phosphine derivatives have been chosen as examples. The influence of the gold system size, charge and shape as well as variation of the ligands by substituents to the ligand–gold interaction has been analysed from a theoretical viewpoint.