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  Rotational motion in the molecular crystals meta- and ortho-carborane studied by deuteron nuclear magnetic resonance

Winterlich, M., Böhmer, R., Diezemann, G., & Zimmermann, H. (2005). Rotational motion in the molecular crystals meta- and ortho-carborane studied by deuteron nuclear magnetic resonance. The Journal of Chemical Physics, 123(9): 094504, pp. 1-12. doi:10.1063/1.2013254.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-002A-E5D5-6 Version Permalink: https://hdl.handle.net/11858/00-001M-0000-002A-E5D6-4
Genre: Journal Article
Alternative Title : Rotational motion in the molecular crystals meta- and ortho-carborane studied by deuteron nuclear magnetic resonance

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JChemPhys_123_2005_094504.pdf (Any fulltext), 607KB
 
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 Creators:
Winterlich, Manfred, Author
Böhmer, Roland, Author
Diezemann, Gregor, Author
Zimmermann, Herbert1, 2, 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              

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 Abstract: Spin-lattice and spin-spin-relaxation times, one- and two-dimensional spectra as well as two- and four-time correlation functions were measured for the molecular crystals ortho- and meta-carborane using deuteron nuclear magnetic resonance. It is found that in their noncubic phases these crystals exhibit highly anisotropic motions. In order to allow for a quantitative description of the motional geometry of the carboranes several stochastic models are formulated. By comparison of the model calculations with the experimental results it is found that the dynamics of these quasi-icosahedrally shaped molecules is governed by a composite reorientation process. Here the molecules perform threefold jumps around a molecule-fixed axis which itself can be tilted in four different directions with respect to a crystal-fixed axis. The tilt angle increases significantly with increasing temperature. On the basis of measurements of four-time stimulated-echo functions, implications for dynamic heterogeneity also in comparison with that of supercooled liquids are discussed.

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Language(s): eng - English
 Dates: 2005-04-272005-07-122005-09-072005-09-01
 Publication Status: Issued
 Pages: 12
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: eDoc: 665535
DOI: 10.1063/1.2013254
URI: http://www.ncbi.nlm.nih.gov/pubmed/16164350
URI: http://scitation.aip.org/content/aip/journal/jcp/123/9/10.1063/1.2013254#
URI: http://scitation.aip.org/content/aip/journal/jcp/123/9/10.1063/1.2013254
Other: 6472
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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: 123 (9) Sequence Number: 094504 Start / End Page: 1 - 12 Identifier: ISSN: 0021-9606
CoNE: https://pure.mpg.de/cone/journals/resource/954922836226