Abstract
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) |
|---|---|
| Pages (from-to) | 3341-3349 |
| Number of pages | 9 |
| Journal | The Journal of Chemical Physics |
| Volume | 103 |
| Issue number | 9 |
| State | Published - 1995 |
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
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Lau, E. Y., & Gerig, J. T. (1995). Solvent effects on nuclear shielding of neon. The Journal of Chemical Physics, 103(9), 3341-3349.