Small gold cluster cations, Aun+, adsorb N 2 molecules effectively under multiple collision conditions. The saturation number for N2 adsorption on a gold cluster cation depends on the number of dangling gold atoms and the triangular apexes. The saturation numbers were interpreted to arrive at the geometrical structures of gold cluster cations. The gold cluster cations of sizes 3 and 6 have single isomers, whilst cluster cations with 4, 5, and 7 atoms have two isomers. For the gold cluster cation with six atoms, a higher-energy and lower-symmetry structure was observed. The gold cluster cations with eight or more atoms do not adsorb N 2, which can be attributed to a two-dimensional to three-dimensional structural transition at n=8.
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