Abstract
NQR spectroscopy and X-ray crystallography have been jointly applied to the study of the small guest molecules CH2Cl2, CHCl3, CCl4, CBr2Cl2, C(CH3)2Cl2 etc. in the Werner host complex Ni(SCN)2(3-methylpyridine)4. Specific host-guest dipole-dipole interactions play an important role in order-disorder effects for guest molecules in the cavities of orthorhombic system,Fddd. Thus a weakly polar molecule such as CBr2Cl2 exhibits a disordered alternation, both the bromine and the chlorine atoms occupying the two possible sites in theC 2 cavity, whereas for the polar molecule C(CH3)2Cl2, an ordered structure is observed. In addition, two new types of crystal structures,C2/c andP \(\bar 1\), are reported here for dichloromethane and chloroform clathrates.
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Pang, L., Lucken, E.A.C. & Bernardinelli, G. Order-disorder effects of small guests in clathrates studied by nuclear quadrupole resonance and crystallography. Part I. Carbon tetrachloride and related molecules in Ni(SCN)2(3-methylpyridine)4 . J Incl Phenom Macrocycl Chem 13, 63–76 (1992). https://doi.org/10.1007/BF01076671
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DOI: https://doi.org/10.1007/BF01076671