Semiempirical Study of Rare Gas and Rare Gas-Hydrogen Ionic Clusters: Rn(+), (RnH)(+) and (RnH2)(+) for R = Ar, Xe
Abstract
The ionic rare gas clusters Argon and Xenon and rare gas-hydrogen clusters are studied by the semiempirical diatomics-in-ionic-systems (DIIS) method. The Argon clusters are seen to have a structure of a linear core surrounded by a n-3 neutral or almost neutral Argon atoms. For Xenon, a symmetrical Xenon ionic core with the geometry of regular pyramid is formed. The rare gas-hydrogen clusters with one H atom have a simple structure with K neutral rare gas atoms attracted to the (RH)+ molecule by polarization forces. Keywords: Ionic clusters; Rare gas; Hydrogen; Semiempirical study; Diatomics-in-ionic systems; Polarization forces.
Document Details
- Document Type
- Technical Report
- Publication Date
- Aug 01, 1990
- Accession Number
- ADA226464
Entities
People
- Isidore Last
- Thomas F. George
Organizations
- University at Buffalo