Al+-ligand binding energies

  • Sodupe M
  • Bauschlicher C
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Ab initio calculations are used to optimize the structure and determine the binding energies of Al+to a series of ligands. For Al+CN, the bonding was found to have a large covalent component. For the remaining ligands, the bonding is shown to be electrostatic in origin. The results obtained for Al+are compared with those previously reported for Mg+. © 1991.

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