Solid-state NMR study of cyclohexane reorientation and inversion in (N-methyl-1,3-diaminopropane)cadmium(II) tetracyanonickelate(II)-cyclohexane (2/1) clathrate

Journal Article · Thu Oct 18 04:00:00 EDT 1990 · Journal of Physical Chemistry; (USA)

DOI:https://doi.org/10.1021/j100384a022· OSTI ID:6259106

Nishikiori, S; Ratcliffe, C I; Ripmeester, J A ^[1]

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1. National Research Council of Canada, Ottawa, Ontario (Canada)

The molecular motion of cyclohexane enclathrated in Cd(mtn)Ni(CN){sub 4}{center dot}{1/2}C{sub 6}H{sub 12} (mtn = CH{sub 3}NH(CH{sub 2}){sub 3}NH{sub 2}) was studied by CP/MAS {sup 13}C NMR and solid-state {sup 2}H NMR. At 77 K the chair form of cyclohexane is undergoing n-fold reorientation (n {ge} 3) about its 3-fold axis. This motion is retained to 397 K accompanied by inversion of the ring above ca. 239 K. The activation energy for the reorientation is estimated to be no more than 5.8 kJ/mol and for the inversion is found to be 44.7 {plus minus} 1.0 kJ/mol from a comparison of the experimental and simulated {sup 2}H NMR line shapes.

• OSTI ID: 6259106
• Journal Information: Journal of Physical Chemistry; (USA), Journal Name: Journal of Physical Chemistry; (USA) Vol. 94:21; ISSN 0022-3654; ISSN JPCHA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
ALKANES
CADMIUM COMPLEXES
CARBON 13
CARBON ISOTOPES
CLATHRATES
COMPLEXES
CYCLOALKANES
CYCLOHEXANE
EVEN-ODD NUCLEI
HIGH TEMPERATURE
HYDROCARBONS
ISOTOPES
LIGHT NUCLEI
LOW TEMPERATURE
MAGNETIC RESONANCE
NICKEL COMPLEXES
NUCLEAR MAGNETIC RESONANCE
NUCLEI
ORGANIC COMPOUNDS
RESONANCE
STABLE ISOTOPES
TRANSITION ELEMENT COMPLEXES