Lead encapsulation by a golden clamp through multiple electrostatic, metallophilic, hydrogen bonding and weak interactions

Abstract

The structure of the complex [{Pb(HBpz3)}{Au3(o-C6BrF4)3(HBpz3)}] consists of a host-guest heterometallic system built up through a plethora of interactions including electrostatic, metallophilic, H-bonding, Au⋯Br or weak C⋯C or Pb⋯Br contacts. Computational studies show that the dispersive interactions are responsible for the attraction of the Pb(ii) cationic moiety within the basket-like trinuclear Au(i) fragment, whereas the ionic component of the interaction placed at the rings produces a molecular clamp.