화학공학소재연구정보센터
Chemical Physics Letters, Vol.439, No.1-3, 14-17, 2007
Theoretical study on the noble-gas anions F-(NgO)(n) (Ng = He, Ar, and Kr)
We have calculated the molecular geometries, association energies, and charge distribution of the noble-gas containing anions F-(NgO)(n) (Ng = He, Ar, Kr; n = 1-6). The geometries of these anions were found to be highly symmetric. The predicted ranges of association energies were 19-39, 37-134, and 58-231 kcal/mol for Ng = He, Ar, and Kr, respectively. The stability of these anions was due to the charge-induced formation of the Ng-O bonds. As the size of the system increases, the charge separation along the Ng-O bond decreases, while the fluorine atom remains fully charged. 2007 (c) Elsevier B.V. All rights reserved.