One-Center Study of the Rare-Gas Hydride Ions NeH+ and ArH+

Abstract

The ground states of the rare‐gas hydride ions NeH⁺ and ArH⁺ have been studied by means of the united‐atom (UA) treatment. Values are reported for the energy, theoretical bond length, force constant, and the diamagnetic part of the molar magnetic susceptibility. However, the present work is primarily intended as a test of the UA approach and, as such, it was useful to compare the results with those obtained by the same treatment for HF and HCl. Also, it proved to be most instructive to analyze the forces which act on the protons within each molecular ion. As anticipated, the UA treatment of NeH⁺ and ArH⁺ met with meager success. Nevertheless, the analysis provided considerable understanding as to why a similar study, applied to neon‐ and argonlike molecules, yields fairly reasonable values for the above molecular properties when compared with experiment.