The gold(I)⋯lead(II) interaction: A relativistic connection

Abstract

The crystal structure of complex [Pb{HB(pz)3}Au(C6Cl5)2] 1 displays an unsupported Au(i)⋯Pb(ii) interaction. This complex emits at 480 nm in the solid state due to an aurate(i) to lead(ii) charge transfer, in which the existence of a metallophilic interaction is a pre-requisite. Ab initio calculations show a very strong Au(i)⋯Pb(ii) closed-shell interaction of -390 kJ mol-1, which has an ionic plus a dispersive (van der Waals) nature strengthened by large relativistic effects (>17%).