Abstract

In a recent study, the angular anistropy of the intermolecular potential of the HeNH 4 + ionic complex has been estimated using ab initio methods. In response, Read and Buckingham have calculated the anisotropic contributions arising from long-range induction and dispersion interactions and have found near quantitative agreement with the ab initio computations for the energy difference between the vertex-bound and face-bound minima. Thus encouraged, they have predicted minimum structure for RgNH 4 + complexes involving heavier rare gas (Rg) atoms and have concluded that the face-bound structure becomes more favorable as the size of the rare gas atom increases. However as discussed here, ab initio results for ArNH 4 + differ from their predictions.

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