The role of small molecular cations in the chemical flow of the interstellar environments
Lola González-Sánchez,
N. Sathyamurthy,
Francesco A. Gianturco
Abstract:Molecular ions have been ubiquitous in a variety of environments in the interstellar medium, from Circumstellar Envelopes to Dark Molecular Clouds and to Diffuse Clouds.Their role in the multitude of...
“…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 first group of anionic noble-gas hydrides of general formula HNgBeO- (Ng = Ar, Kr, Xe, Rn) is predicted by MP2, Coupled-Cluster, and Density Functional Theory computations with correlation-consistent atomic...
“…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 first group of anionic noble-gas hydrides of general formula HNgBeO- (Ng = Ar, Kr, Xe, Rn) is predicted by MP2, Coupled-Cluster, and Density Functional Theory computations with correlation-consistent atomic...
Akin to the traditional quasi-classical trajectory method for investigating the dynamics on a single adiabatic potential energy surface for an elementary chemical reaction, we carry out the dynamics on a 2-state ab initio potential energy surface including nonadiabatic coupling terms as friction terms for D + + H 2 collisions. It is shown that the resulting dynamics correctly accounts for nonreactive charge transfer, reactive non-charge transfer and reactive charge transfer processes. In addition, it leads to the formation of triatomic DH 2 + species as well.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.