Computer simulations of neon dissolved in a variety of organic liquids are used to explore the origins of solvent-induced changes in the neon shielding parameter. Relying on recent theoretical calculations, it is demonstrated that short-range (van der Waals) interactions between the rare gas atom and solvent molecules are the predominant source of the shielding parameter changes. The treatment used leads to calculated solvent-induced changes for solvents as diverse as water and hexane that are in good agreement with experimental observations.
|Original language||English (US)|
|Number of pages||9|
|Journal||The Journal of Chemical Physics|
|State||Published - 1995|
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics