United-Atom Approximation Applied to Argonlike Molecules. I. Hydrogen Sulfide

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Abstract
The united‐atom approximation was applied to H2S and also to the systems HS— and S——. The wavefunction obtained for H2S was used to calculate the molar diamagnetic susceptibility and the coherent x‐ray scattering factor for the gaseous form of the molecule. Values are also reported for the ``breathing'' force constant for H2S and for the theoretical bond length for both H2S and HS—. Within the present approximation a calculation was made of the bond energy for H2S dissociating into HS and S. The proton affinities for HS— and S—— were also determined. Where possible, a comparison was made with experiment. In general, except for the proton affinities and bond‐energy calculation, the united‐atom model applied to H2S was reasonably successful. A comparison was also made between the present radial density and the density of electrons for H2S provided by the model of ``floating'' hydrogen densities. This comparison helps to substantiate the claim made earlier, namely, that the model of ``floating'' hydrogen densities will provide a very reasonable radial distribution of electrons within molecules of the form XHn.

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