Hydrogen-bonding in the self-organising system 3,5-dimethylpyrazole

Stride, John A., Jayasooriya, Upali A., Mbogo, Njagi, White, Ross P., Nicolaï, Béatrice and Kearley, Gordon J. (2001) Hydrogen-bonding in the self-organising system 3,5-dimethylpyrazole. New Journal of Chemistry, 25 (8). pp. 1069-1072. ISSN 1369-9261

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Abstract

The family of pyrazoles containing only H and CH3 substituents displays a wide variation in physical properties which can be directly related to the manner in which the molecules self-organise in the solid state. Hydrogen-bonded multimeric motifs of the substituted pyrazoles are a recurring feature of this family. The quasielastic neutron scattering data for 3,5-dimethylpyrazole presented here indicate that the hydrogen-bonded amide protons within trimer units undergo a short-range hopping motion between two equivalent sites, straddling the direct N . . .H hydrogen-bond axis. This motion is in addition to the larger tautomeric hop previously observed using NMR. The activation energy of the short-range motion has been determined herein as 1.7(1) kJ mol(-1), ca. 1/30th of that of the tautomeric proton hopping motion.

Item Type:	Article
Faculty \ School:	Faculty of Science > School of Chemistry
UEA Research Groups:	Faculty of Science > Research Groups > Physical and Analytical Chemistry (former - to 2017)
Depositing User:	Rachel Smith
Date Deposited:	09 May 2011 12:20
Last Modified:	24 Oct 2022 03:46
URI:	https://ueaeprints.uea.ac.uk/id/eprint/29782
DOI:	10.1039/B102321G

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