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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

Publication date1992
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 the C₂ cavity, whereas for the polar molecule C(CH₃)₂Cl₂, an ordered structure is observed. In addition, two new types of crystal structures,C2/c andP1¯, are reported here for dichloromethane and chloroform clathrates.

Keywords
  • NQR
  • Chloromethanes
  • Structure
Citation (ISO format)
PANG, Li, LUCKEN, Edwin-Anthony, BERNARDINELLI, Gérald Hugues. 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)<sub>2</sub>(3-methylpyridine)<sub>4</sub>. In: Journal of Inclusion Phenomena and Molecular Recognition in Chemistry, 1992, vol. 13, n° 1, p. 63–76. doi: 10.1007/BF01076671
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ISSN of the journal0923-0750
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