Al+-ligand binding energies

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Abstract

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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Sodupe, M., & Bauschlicher, C. W. (1991). Al+-ligand binding energies. Chemical Physics Letters, 181(4), 321–326. https://doi.org/10.1016/0009-2614(91)80079-D

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