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 |
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Authors: | Li Pang Edwin A C Lucken Gérald Bernardinelli |
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Institution: | (1) Départment de chimie physique and Laboratoire de Cristallographie aux Rayons X, Université de Genève, 30, Quai E. Ansermet, 1211 Genève 4, Switzerland |
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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
, are reported here for dichloromethane and chloroform clathrates. |
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Keywords: | NQR chloromethanes structure |
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