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The Application of Nuclear Quadrupole Resonance to the Study of Clathrates. 35Cl NQR and Crystallography of clathrated CCl4

Published inJournal of the American Chemical Society, vol. 112, no. 24, p. 8754-8764
Publication date1990
Abstract

The 35Cl nuclear quadrupole resonance (NQR) spectra of CCI4 in more than 20 clathrates have been measured in the range 4-200 K. The crystal structures of CCI4/Dianin's compound (l), CCI4/Fe(AcAc)3 (3), CCI4/Ni(SCN)2(3-MePy)4 (4), and CCI4/Ni(exan)2(4,4'-dm-2,2'-bpy) (19) clathrates are also reported. Site symmetry and site multiplicity of the guest molecule in clathrates were determined by NQR spectroscopy and by X-ray crystallography. The degree of host-guest interaction was estimated from the NQR frequency shifts. The libration frequencies of the guest molecules in trigonal cavities were determined from NQR frequencies by Bayer-Kushida theory analysis.

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PANG, Li, LUCKEN, Edwin-Anthony, BERNARDINELLI, Gérald Hugues. The Application of Nuclear Quadrupole Resonance to the Study of Clathrates. <sup>35</sup>Cl NQR and Crystallography of clathrated CCl<sub>4</sub>. In: Journal of the American Chemical Society, 1990, vol. 112, n° 24, p. 8754–8764. doi: 10.1021/ja00180a018
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ISSN of the journal0002-7863
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