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

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dc.contributor.authorBöhmer, Roland
dc.contributor.authorWinterlich, M.
dc.contributor.authorDiezemann, G.
dc.contributor.authorZimmermann, H.
dc.date.accessioned2008-06-13T09:59:21Z
dc.date.available2008-06-13T09:59:21Z
dc.date.issued2005-09-07
dc.description.abstractSpin-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.en
dc.identifier.citationWinterlich, M.; Böhmer, R.; Diezemann, G.; Zimmermann, H.. Rotational motion in the molecular crystals meta- and ortho-carborane studied by deuteron nuclear magnetic resonance. In: Journal of Chemical Physics Jg. 123(2005), 094504/1-12, doi: 10.1063/1.2013254.de
dc.identifier.doi10.1063/1.2013254
dc.identifier.urihttp://hdl.handle.net/2003/25563
dc.identifier.urihttp://dx.doi.org/10.17877/DE290R-7671
dc.identifier.urlhttp://dx.doi.org/10.1063/1.2013254
dc.language.isoende
dc.publisherAmerican Institute of Physicsen
dc.rights©2005 American Institute of Physicsen
dc.subject.ddc530
dc.titleRotational motion in the molecular crystals meta- and ortho-carborane studied by deuteron nuclear magnetic resonanceen
dc.typeTextde
dc.type.publicationtypearticlede
dcterms.accessRightsrestricted

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