Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
10705574 | Planetary and Space Science | 2005 | 11 Pages |
Abstract
The possibility of H3+ playing a role as a sink for noble gases has been investigated in the case of Argon. Elaborate quantum methods (ab initio Coupled Cluster and density functional BH&HLYP levels of theory) have been shown to reproduce the rotational constants within 0.3% together with the only known IR frequency on the test case of Arâ¦D3+. Dissociation energies of (Ar)nâ¦H3+ as a function of cluster size, i.e. 7.2 (n=1), 3.7 (n=2), 3.6 (n=3), 1.6 (n=4), 1.7 (n=5) kcal/mol, follow the pattern established experimentally for (Ar)nâ¦H3+ and (H2)nâ¦H3+ series. Rotational constants and harmonic frequencies of (Ar)nâ¦H3+ (n=1-3) are presented.
Related Topics
Physical Sciences and Engineering
Earth and Planetary Sciences
Geophysics
Authors
F. Pauzat, Y. Ellinger,