Ar+ ArH⁺ Reactive Collisions of Astrophysical Interest: The Case of ³⁶Ar

Abstract

The reactive collision between 36Ar and the 36ArH+ species has been investigated by means of quantum mechanical (QM), quasiclassical trajectories (QCT) and statistical quantum mechanical (SQM) approaches. Reaction probabilities, cross sections as a function of the energy and rate constants in terms of the temperature have been obtained. Cumulative distributions as a function of the collision time and the inspection of selected QCT corresponding to specific dynamical mechanisms have been analysed. Predictions by means of the SQM method are in good agreement with the QM results, thus supporting the complex‐forming nature of the process.

Noble gas hydrides: theoretical prediction of the first group of anionic species

“…The first evidence of gaseous cationic species dates back to 1925, 1 when Hogness and Lunn detected the simplest HeH + and HeH 2 + from ionized He/H 2 mixtures. Over the years, the gas-phase chemistry of the Ng m H n + (Ng = He–Xe; m , n ≥ 1) turned out to be rich and varied, 2 and the rejuvenated interest that it is currently enjoying 3–13 is also stimulated by the actual detection of ArH + and HeH + in various galactic and extragalactic regions. 14–18 Neutral compounds with Ng–H bonds emerged first in 1995, 19 when Räsänen and his coworkers identified the strong infrared absorbers originating from the photodissociation of hydrogen halides in Kr and Xe matrices as the “inserted” compounds HXeI, HXeBr, HXeCl, and HKrCl.…”

A kernel-based machine learning potential and quantum vibrational state analysis of the cationic Ar hydride (Ar2H+)

“…Simultaneously, [Ng 2 H] + cations have been investigated theoretically, in order to understand their electronic structures and bonding. 14,16–32 One of the first studies by Lundell et al , 18 analyzed the molecular properties of the proton-bound dimers using ab initio methods with both the effective core potentials and all electron basis sets. In general, the Ng 2 H + (Ng = Ar, Kr, Xe) molecules were found to have a linear symmetric center D ∞h geometry.…”

Chemical Aristocracy: He3 Dication and Analogous Noble-Gas-Exclusive Covalent Compounds

“…Moreover, HeH + − is posited as the first molecule to be formed in the universe, and its presence in interstellar environments was confirmed after its unambiguous detection in the planetary nebula NGC 7027. Other noble gas hydrides, such as HeH 2 + and ArH + , are also pointed out as key players in galactic and extragalactic regions. These studies underscore the richness of gas-phase ion chemistry within the realm of noble gases, which has been the subject of numerous investigations and research efforts. ,− …”