Structure & bonding of the gold-subhalide cluster I-Au144Cl60[z]

Abstract

The structure and bonding of the gold-subhalide compounds Au₁₄₄Cl₆₀^[z] are related to those of the ubiquitous thiolated gold clusters, or Faradaurates, by iso-electronic substitution of thiolate by chloride. Exact I-symmetry holds for the [z] = [2+,4+] charge-states, in accordance with new electrospray mass spectrometry measurements and the predicted electron shell filling. The high symmetry facilitates analysis of the global structure as well as the bonding network, with some striking results.