On the superhalogen character of Al13 in Al13I-

ORAL

Abstract

It is shown that the reaction of aluminum cluster anions with HI in molecular beams leads to the generation of Al$_{n}$I$_{m}^{-}$ clusters. The stability of the clusters, examined by reacting the cluster products with oxygen, led to the observation of a magic cluster corresponding to the composition Al$_{13}$I$^{-.}$. Ab initio calculations indicate that the cluster features a structurally unperturbed Al$_{13}^{-}$ icosahedric core with I occupying an on-top site. An examination of the electronic charge density indicates a region of high charge density on the aluminum vertex opposite from the I atom. As we discuss, this ionically bound magic cluster can be understood by considering that Al$_{13}$ has an electronic structure reminiscent of a halogen atom. Comparisons to polyhalides are shown to provide a sound explanation for our chemical observations. $^{\ast }$Supported by DOE Grant No. DE-FG02-02ER46009

Authors

  • N.O. Jones

  • T. Morisato

  • S.N. Khanna

    • Department of Physics, Virginia Commonwealth University, Richmond, VA 23284
  • D.E. Bergeron

  • A.W. Castleman

    • Departments of Chemistry and Physics, The Pennsylvania State University, University Park, PA 16802