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  2H‐nuclear magnetic resonance study of the host lattice dynamics in the clathrate of Dianin’s compound. Concerted rotational jumps of six hydroxyl groups

Bernhard, T., Zimmermann, H., & Haeberlen, U. (1990). 2H‐nuclear magnetic resonance study of the host lattice dynamics in the clathrate of Dianin’s compound. Concerted rotational jumps of six hydroxyl groups. The Journal of Chemical Physics, 94(4), 2178-2186. doi:10.1063/1.458009.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-0019-AD64-8 Version Permalink: https://hdl.handle.net/21.11116/0000-0000-83DE-2
Genre: Journal Article

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JChemPhys_92_1990_2178.pdf (Any fulltext), 703KB
 
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 Creators:
Bernhard, T., Author
Zimmermann, Herbert1, 2, 3, 4, Author           
Haeberlen, Ulrich5, Author           
Affiliations:
1Department of Molecular Physics, Max Planck Institute for Medical Research, Max Planck Society, ou_1497705              
2Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society, ou_1497700              
3Zimmermann Group, Max Planck Institute for Medical Research, Max Planck Society, ou_1497749              
4Emeritus Group Biophysics, Max Planck Institute for Medical Research, Max Planck Society, ou_1497712              
5Research Group Prof. Dr. Haeberlen, Max Planck Institute for Medical Research, Max Planck Society, ou_1497739              

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 Abstract: 2H‐nuclear magnetic resonance was applied to single crystals of the clathrate of Dianin’s compound with ethanol as a guest. The hydroxyl groups of both the host lattice and the guest were deuterated. The temperature dependences of the 2H spectra and of the quadrupole coupling tensors of the host lattice deuterons provide evidence that these deuterons carry out jumps between two unequally populated sites. These jumps may be visualized as approximate rotations of the hydroxyl groups about the C–O bonds. The occupancies of the two sites were measured and found to follow a Boltzmann distribution at T>145 K. At lower temperatures the minority sites are overpopulated. The temperature dependence of the jump rate was determined by line shape analyses and relaxation time measurements. From the absence of dipolar fine structure in the 2H spectra recorded for specially chosen crystal orientations it is concluded that groups of six hydroxyl units carry out their rotational jumps in a concerted manner.

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Language(s): eng - English
 Dates: 1989-04-061989-10-261990
 Publication Status: Issued
 Pages: 9
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 Rev. Type: Peer
 Identifiers: DOI: 10.1063/1.458009
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Title: The Journal of Chemical Physics
  Other : J. Chem. Phys.
Source Genre: Journal
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Publ. Info: Woodbury, N.Y. : American Institute of Physics
Pages: - Volume / Issue: 94 (4) Sequence Number: - Start / End Page: 2178 - 2186 Identifier: ISSN: 0021-9606
CoNE: https://pure.mpg.de/cone/journals/resource/954922836226