DOI: 10.1063/1.1744199. Proton Magnetic Resonance Chemical Shift of Free (Gaseous) and Associated (Liquid) Hydride Molecules

Proton Magnetic Resonance Chemical Shift of Free (Gaseous) and Associated (Liquid) Hydride Molecules

10.1063/1.1744199

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

In order to study the factors giving rise to proton resonance chemical shifts of free molecules, as well as the association shifts due to hydrogen bonding, proton resonance measurements were carried out for a variety of simple hydride molecules in both the liquid and gaseous states. It is found that the proton shifts in the gaseous state can be interpreted in terms of the combined effect of the electronegativity and magnetic anisotropy of the atom to which the proton is bonded. The proton signals measured in the liquid state near the melting point, which correspond to maximum association, show large shifts to lower magnetic field relative to the corresponding gas signals. It is suggested that the association, or hydrogen bond shifts, in a system Y ——— H — X can be interpreted largely in terms of the reduction of the diamagnetic circulation in the H — X bond by the electrostatic field of the Y donor. Further possible contributions in certain anomalous cases are also considered.

Bibliography

Schneider, W. G., Bernstein, H. J., & Pople, J. A. (1958). Proton Magnetic Resonance Chemical Shift of Free (Gaseous) and Associated (Liquid) Hydride Molecules. The Journal of Chemical Physics, 28(4), 601â607.

Authors 3

W. G. Schneider (first)
H. J. Bernstein (additional)
J. A. Pople (additional)

References 10 Referenced 291

10.1103/PhysRev.78.699 / Phys. Rev. (1950)
10.1063/1.1739849 / J. Chem. Phys. (1954)
10.1063/1.1748008 / J. Chem. Phys. (1951)
10.1021/ja01114a053 / J. Am. Chem. Soc. (1953)
{'key': '2024020818014721900_r5', 'first-page': '541', 'volume': 'A239', 'year': '1957', 'journal-title': 'Proc. Roy. Soc. (London)'} / Proc. Roy. Soc. (London) (1957)
10.1063/1.1743676 / J. Chem. Phys. (1957)
{'key': '2024020818014721900_r7', 'first-page': '515', 'volume': 'A236', 'year': '1956', 'journal-title': 'Proc. Roy. Soc. (London)'} / Proc. Roy. Soc. (London) (1956)
10.1139/v56-127 / Can. J. Chem. (1956)
10.1139/v57-036 / Can. J. Chem. (1957)
10.1017/S0305004100032230 / Proc. Cambridge Phil. Soc. (1957)

Dates

Type	When
Created	20 years, 7 months ago (Jan. 5, 2005, 9:04 p.m.)
Deposited	1 year, 6 months ago (Feb. 8, 2024, 1:44 p.m.)
Indexed	3 weeks, 1 day ago (Aug. 2, 2025, 1:08 a.m.)
Issued	67 years, 4 months ago (April 1, 1958)
Published	67 years, 4 months ago (April 1, 1958)
Published Print	67 years, 4 months ago (April 1, 1958)

Funders 0

None

BibTeX

@article{Schneider_1958, title={Proton Magnetic Resonance Chemical Shift of Free (Gaseous) and Associated (Liquid) Hydride Molecules}, volume={28}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1744199}, DOI={10.1063/1.1744199}, number={4}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Schneider, W. G. and Bernstein, H. J. and Pople, J. A.}, year={1958}, month=apr, pages={601–607} }

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