Dynamics of Chloromethanes in Cryptophane-E Inclusion Complexes A H-2 Solid State NMR and X-ray Diffraction Study

In this paper, we present a variable temperature 2 H solid-state NMR investigation of cryptophane-E:chloroform and cryptophane-E:dichloromethane inclusion complexes. The 2 H line shapes and nuclear spin relaxation rates were analyzed in terms of the distribution of C−D bond orientations and the time...

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Published inThe journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Vol. 109; no. 20; p. 4442
Main Authors Petrov, Oleg, Tosner, Zdenek, Csöregh, Ingeborg, Kowalewski, Jozef, Sandström, Dick
Format Journal Article
LanguageEnglish
Published 26.05.2005
Subjects
Chemistry
CHLOROFORM
CRYSTALS
DEUTERIUM QUADRUPOLE-ECHO
Kemi
MOLECULAR RECOGNITION
MOTION
NATURAL SCIENCES
NATURVETENSKAP
RELAXATION
SPECTROSCOPY
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Summary:In this paper, we present a variable temperature 2 H solid-state NMR investigation of cryptophane-E:chloroform and cryptophane-E:dichloromethane inclusion complexes. The 2 H line shapes and nuclear spin relaxation rates were analyzed in terms of the distribution of C−D bond orientations and the time scale of the guest dynamics. It was found that encaged chloroform produces broad 2 H spectra, and that its reorientation is relatively slow with a correlation time of 0.17 μs at 292 K. In contrast, the 2 H line shapes of encaged dichloromethane are narrow and the motion of this guest molecule is fast with a correlation time of 1.4 ps at 283 K. The 2 H NMR data were complemented by an X-ray diffraction study of the cryptophane-E:dichloromethane structure, which was utilized in the analysis of the NMR parameters.
ISSN:1089-5639
1520-5215
DOI:10.1021/jp044884a