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Application of nuclear quadrupole resonance to the study of clathrates. sup 35 Cl NQR and crystallography of clathrated CCl sub 4

Journal Article · · Journal of the American Chemical Society; (United States)
DOI:https://doi.org/10.1021/ja00180a018· OSTI ID:5291673

The {sup 35}Cl nuclear quadrupole resonance (NQR) spectra of CCl{sub 4} in more than 20 clathrates have been measured in the range 4-200 K. The crystal structures of CCl{sub 4}/Dianin's compound (1), CCl{sub 4}/Fe(AcAc){sub 3} (3), CCl{sub 4}/Ni(SCN){sub 2}(3-MePy){sub 4} (4), and CCl{sub 4}/Ni(exan){sub 2}(4,4{prime}-dm-2,2{prime}-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.

OSTI ID:
5291673
Journal Information:
Journal of the American Chemical Society; (United States), Journal Name: Journal of the American Chemical Society; (United States) Vol. 112:24; ISSN 0002-7863; ISSN JACSA
Country of Publication:
United States
Language:
English