Motional corrections to distances derived from NMR Data: NH4Cl, NH4F, and N2H6F2

James A. Ibers; D. P. Stevenson

doi:10.1063/1.1744299

Motional corrections to distances derived from NMR Data: NH₄Cl, NH₄F, and N₂H₆F₂

James A. Ibers^*, D. P. Stevenson

^*Corresponding author for this work

Chemistry

Research output: Contribution to journal › Article › peer-review

34 Scopus citations

Abstract

Corrections for the effects of zero-point energy vibrations on the second moments of the nuclear magnetic resonance (NMR) spectral lines of NH ₄Cl, NH₄F, and N₂H₆F₂ are considered in detail and new N - H distances are derived. It is found for these particular substances that the corrections to the second moments for librational motions are relatively more important than corrections for bending or stretching motions. It is also found that because of the anharmonicity of the stretching motion the error involved in replacing the derived average of the distance by the equilibrium distance is relatively small.

Original language	English (US)
Pages (from-to)	929-938
Number of pages	10
Journal	The Journal of Chemical Physics
Volume	28
Issue number	5
DOIs	https://doi.org/10.1063/1.1744299
State	Published - Jan 1 1958

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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T2 - NH4Cl, NH4F, and N2H6F2

AU - Ibers, James A.

AU - Stevenson, D. P.

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Y1 - 1958/1/1

N2 - Corrections for the effects of zero-point energy vibrations on the second moments of the nuclear magnetic resonance (NMR) spectral lines of NH 4Cl, NH4F, and N2H6F2 are considered in detail and new N - H distances are derived. It is found for these particular substances that the corrections to the second moments for librational motions are relatively more important than corrections for bending or stretching motions. It is also found that because of the anharmonicity of the stretching motion the error involved in replacing the derived average of the distance by the equilibrium distance is relatively small.

AB - Corrections for the effects of zero-point energy vibrations on the second moments of the nuclear magnetic resonance (NMR) spectral lines of NH 4Cl, NH4F, and N2H6F2 are considered in detail and new N - H distances are derived. It is found for these particular substances that the corrections to the second moments for librational motions are relatively more important than corrections for bending or stretching motions. It is also found that because of the anharmonicity of the stretching motion the error involved in replacing the derived average of the distance by the equilibrium distance is relatively small.

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Motional corrections to distances derived from NMR Data: NH₄Cl, NH₄F, and N₂H₆F₂

Abstract

ASJC Scopus subject areas

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