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In light of the recent discovery of ArH+ in the Crab nebula, it is shownthrough high-level quantum chemical comptuations that the global minima on theAr+/Ne+ + H2 potential energy surfaces are ArH2+ and NeH2+. Hence, ArH2+ may bea necessary intermediate in the Ar+ + H2 -> ArH+ + H formation reactionproposed in the same work where ArH+ is first reported in the Crab nebula.ArH2+ is also probably an intermediate in the alternative Ar + H+2 -> ArH+ + Hreaction. Additionally, it is shown that Ne+ + H2 -> NeH+2 will subsequentlymost likely yield Ne + H+2 and not NeH+ + H offering a possible rationale as tothe absence of NeH+ in spectra obtained from the interstellar medium (ISM).Following from this, spectroscopic data (both rotational and vibrational) areprovided for NeH2+ and ArH2+ through the use of highly-accurate quantumchemical quartic and cubic force fields. All possible isotopologues are alsoincluded for 20Ne, 22Ne, 36Ar, 38Ar, 40Ar, 1H, and D. The dipole moments forthese systems are quite large at 5.61 D for NeH2+ and 4.37 D for ArH2+. Thespectroscopic constants provided will aid in the potential detection of theseopen-shell noble gas dihydride cations in the ISM.

ArH2+ and NeH2+ as Global Minima in the Ar+/Ne+ + H2 Reactions: Energetic, Spectroscopic, and Structural Data