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

Autor:	Ingeborg Csöregh, Dick Sandström, Zdenek Tosner, Jozef Kowalewski, Oleg Petrov
Rok vydání:	2005
Předmět:	chemistry.chemical_compound Chloroform Solid-state nuclear magnetic resonance chemistry Computational chemistry X-ray crystallography Physical chemistry Physical and Theoretical Chemistry Cryptophane E Inclusion (mineral) Dichloromethane
Zdroj:	The Journal of Physical Chemistry A. 109:4442-4451
ISSN:	1520-5215 1089-5639
Popis:	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 approximately 0.17 mus 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 approximately 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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6b14baf6ca075088ef9070a46d14f0fb https://doi.org/10.1021/jp044884a Zobrazit plný text záznamu