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Formation And Properties Of Halogenated Aluminum Clusters, D. E. Bergeron, A. W. Castleman Jr., T. Morisato, S. N. Khanna

Physics Publications

The fast-flow tube reaction apparatus was employed to study the halogenation of aluminum clusters. For reactions with HX (X=Cl, Br, and I), acid-etching pathways are evident, and we present findings for several reactions, whereby AlnX− generation is energetically favorable. Tandem reaction experiments allowed us to establish that for AlnCl−, AlnI−, and AlnI−2, species with n=6, 7, and 15 are particularly resistant to attack by oxygen. Further, trends in reactivity suggest that, in general, iodine incorporation leaves the aluminum clusters’ electronic properties largely unperturbed. Ab initio calculations were performed to better interpret reaction mechanisms and elucidate the characteristics of the products. …