Dynamics of Chloromethanes in Cryptophane-E Inclusion Complexes: A H-2 Solid State NMR and X-ray Diffraction Study
2005 (English)In: Journal of Physical Chemistry A, ISSN 1089-5639, E-ISSN 1520-5215, Vol. 109, no 20, 4442-4451 p.Article in journal (Refereed) Published
In this paper, we present a variable temperature 2H solid-state NMR investigation of cryptophane-E:chloroform and cryptophane-E:dichloromethane inclusion complexes. The 2H 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 2H spectra, and that its reorientation is relatively slow with a correlation time of 0.17 μs at 292 K. In contrast, the 2H 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 2H 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.
Place, publisher, year, edition, pages
2005. Vol. 109, no 20, 4442-4451 p.
DEUTERIUM QUADRUPOLE-ECHO, MOLECULAR RECOGNITION, RELAXATION, MOTION, SPECTROSCOPY, CHLOROFORM, CRYSTALS, TOOL
IdentifiersURN: urn:nbn:se:su:diva-23552DOI: 10.1021/jp044884aOAI: oai:DiVA.org:su-23552DiVA: diva2:192767