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  Proton magnetic shielding in malonic acid by multiple pulse techniques

Haeberlen, U., Kohlschütter, U., Kempf, J., Spiess, H. W., & Zimmermann, H. (1974). Proton magnetic shielding in malonic acid by multiple pulse techniques. Chemical Physics, 3(2), 248-256. doi:10.1016/0301-0104(74)80065-0.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0019-B16A-F Version Permalink: http://hdl.handle.net/11858/00-001M-0000-002D-DDAC-4
Genre: Journal Article

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ChemPhys_3_1974_248.pdf (Any fulltext), 745KB
 
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 Creators:
Haeberlen, Ulrich1, Author              
Kohlschütter, U.2, Author              
Kempf, J.2, Author              
Spiess, Hans W.2, Author              
Zimmermann, Herbert2, 3, 4, 5, Author              
Affiliations:
1Research Group Prof. Dr. Haeberlen, Max Planck Institute for Medical Research, Max Planck Society, ou_1497739              
2Department of Molecular Physics, Max Planck Institute for Medical Research, Max Planck Society, ou_1497705              
3Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society, ou_1497700              
4Zimmermann Group, Max Planck Institute for Medical Research, Max Planck Society, ou_1497749              
5Emeritus Group Biophysics, Max Planck Institute for Medical Research, Max Planck Society, ou_1497712              

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 Abstract: The proton NMR in single crystals of malonic acid has been studied by multiple pulse line narrowing techniques. The nuclear magnetic shielding tensors σ(i) of all protons in malonic acid could be determined from the spectra. There are two magnetically distinct carboxyl protons. The principal components of their shielding tensors are found to be σ(1)ZZ= −0.8 ppm, σ(1)YY = −19.2 ppm, σ(1)XX = −21.8 ppm, and σ(2)ZZ = −1.0 ppm, σ(2)ZZ = −21.3 ppm relative to adamantane. The error limits are estimated to be ± 1 ppm. The most shielded directions lie along the hydrogen bond directions to within 8 degrees. The least shielded directions are essentially perpendicular to the plane of the carboxyl groups. Within experimental accuracy the shielding of the aliphatic protons is axially symmetric about the CH bond axes. The anisotropy Δσ = σ⌈ − σ⊥ is (4 ± 1) ppm. The gross features of the anisotropy of the carboxyl protons are shown to be governed by the diamagnetic effect.

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Language(s): eng - English
 Dates: 1973-10-292002-01-091974-02
 Publication Status: Published in print
 Pages: 9
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 Table of Contents: -
 Rev. Type: Peer
 Identifiers: eDoc: 666044
DOI: 10.1016/0301-0104(74)80065-0
Other: 5485
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Title: Chemical Physics
  Other : Chem. Phys.
Source Genre: Journal
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Publ. Info: Amsterdam : Elsevier B.V.
Pages: - Volume / Issue: 3 (2) Sequence Number: - Start / End Page: 248 - 256 Identifier: ISSN: 0301-0104
CoNE: https://pure.mpg.de/cone/journals/resource/954925509371