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Au 2 n  Cl - ( n = 1-4) clusters are investigated by both laser ablation mass spectrometry and theoretical calculations. It is interesting to find that the electron affinities of neutral Au 2 n  Cl ( n = 1-4) clusters are much larger than those of corresponding pure Au 2 n  clusters. Among them, the electron affinity of Au 2 Cl is 4.02 eV, which can be defined as a very unique superhalogen that is quite different from classical ones of M  n  X  m  (M = metal, X = halogen, and n &lt; m ). Natural bond orbital and highest occupied molecular orbital analyses indicate that the extra electron is predominantly delocalized over the positively charged metal moiety in these anionic Au 2 n  Cl - clusters, which is the main reason for the large electron affinities of the corresponding neutral species.

Greatly Enhanced Electron Affinities of Au2nCl Clusters (n = 1–4): Effects of Chlorine Doping

Greatly Enhanced Electron Affinities of Au_2nCl Clusters (n = 1–4): Effects of Chlorine Doping