Solvent effects on nuclear shielding of neon

Edmond Y Lau, J. T. Gerig

Research output: Contribution to journalArticlepeer-review

16 Scopus citations


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 languageEnglish (US)
Pages (from-to)3341-3349
Number of pages9
JournalThe Journal of Chemical Physics
Issue number9
StatePublished - 1995

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics


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