| Abstract
| - The structures and consecutive energies and enthalpies of dissociation reactions were studied theoreticallyfor cations of the general formula H3+Arn(H2)m (n = 0, 6; m = 0, 6; and, n + m = 6). It was found that theextent of modification of the core cation by particular ligands is the main reason for differences betweenproperties of pure and mixed complexes. Since this modification is caused by the core−ligand interactions,the differences in the nature of interactions for binding of argon or molecular hydrogen to the H3+ cation areaddressed. The vibrational frequencies for the H3+ modes were studied as a source of information concerningthe environment of the core ion.
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