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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 25, Number 4
BKCSDE 25(4)
April 20, 2004 

Single Crystal 133Cs NMR Study of Cs+(15-Crown-5)2I-
Kang Yeol Lee, Tae Ho Kim, Yong Woon Shin, Jineun Kim*
Crown ether, Cesium, NMR, DANTE, Hole burning
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 133Cs 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 δ11 = 46 (1), δ22 = 60 (1), δ33 = -30 (1) ppm, quadrupole coupling constant QCC = 581(1) kHz, and asymmetry parameter η = 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 133Cs NMR line of the title compound. The hole burning of the single crystal and powder 133Cs NMR lines showed that the NMR lines are not homogeneously broadened.
529 - 532
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