Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
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Single Crystal 133Cs NMR Study of Cs+(15-Crown-5)2I-

  • Lee, Kang-Yeol (Department of Chemistry and Research Institute of Natural Sciences, Gyeongsang National University) ;
  • Kim, Tae-Ho (Department of Chemistry and Research Institute of Natural Sciences, Gyeongsang National University) ;
  • Shin, Yong-Woon (Department of Chemistry and Research Institute of Natural Sciences, Gyeongsang National University) ;
  • Kim, Jin-Eun (Department of Chemistry and Research Institute of Natural Sciences, Gyeongsang National University)
  • Published : 2004.04.20
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Abstract

Cesium-133 NMR spectra of a single crystal of tetragonal $Cs^+ (15-crown-5)_2I^-$ were obtained as a function of crystal orientation in an applied magnetic field of 9.40T and analyzed to provide the magnitudes and orientations of the $^{133}Cs$ chemical shift and quadrupolar tensors for two magnetically nonequivalent and symmetry related sites. Chemical shift tensor components and parameters of quadrupolar interactions are obtained as ${\delta}_{11}=46(1),\;{\delta}_{22}=60(1),\;{\delta}_{33}=-30(1)$ ppm, quadrupole coupling constant QCC = 581(1) kHz, and asymmetry parameter ${\eta}$ = 0.481(1), respectively. The nonaxially symmetric NMR parameters imply that the local environment of the cesium nuclei is nonaxially symmetric. The DANTE experiment burned holes in the $^{133}Cs$ NMR line of the title compound. The hole burning of the single crystal and powder $^{133}Cs$ NMR lines showed that the NMR lines are not homogeneously broadened.

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