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 |
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ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
Cite this
Solvent effects on nuclear shielding of neon. / Lau, Edmond Y; Gerig, J. T.
In: The Journal of Chemical Physics, Vol. 103, No. 9, 1995, p. 3341-3349.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Solvent effects on nuclear shielding of neon
AU - Lau, Edmond Y
AU - Gerig, J. T.
PY - 1995
Y1 - 1995
N2 - 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.
AB - 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.
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UR - http://www.scopus.com/inward/citedby.url?scp=0001614020&partnerID=8YFLogxK
M3 - Article
VL - 103
SP - 3341
EP - 3349
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
SN - 0021-9606
IS - 9
ER -