Mass-Spectrometric and Theoretical Evidence for NH4 and H3O

Abstract

The unusual chemical species H₃O and NH₄ have been studied using both experimental and theoretical methods. Experimentally the species were investigated by means of a mass spectrometer equipped with two different reactors designed to produce reactive species. The NH₄ was produced by surface chemistry techniques, whereas H₃O was produced by irradiating water vapor with ionizing electrons. A study of the ionization potential of NH₄ by surface ionization techniques gave a value of 5.9 eV. The ionization potential of H₃O was measured by conventional techniques and a value of 10.9 eV was obtained. In the theoretical investigation, the physical parameters are given including s‐, p‐, and d‐type orbitals for H₃O and s‐, p‐, and f‐type orbitals for NH₄. The calculations for NH₄ predict a tetrahedral structure with internuclear distances of about 1.06 Å and they predict a planar H₃O molecule with bond distances about 1.03 Å. The ionization potentials of H₃O and NH₄ were estimated to 3.9 and 3.0 eV.