Variable temperature 1H and 13C NMR study of restricted rotation in N,N-bis(2-hydroxyethyl)acetamide

Aitken, R Alan; Smith, Melanja H; Wilson, Heather S

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dc.contributor.author	Aitken, R Alan
dc.contributor.author	Smith, Melanja H
dc.contributor.author	Wilson, Heather S
dc.date.accessioned	2017-03-14T00:32:51Z
dc.date.available	2017-03-14T00:32:51Z
dc.date.issued	2016-06-05
dc.identifier.citation	Aitken , R A , Smith , M H & Wilson , H S 2016 , ' Variable temperature 1 H and 13 C NMR study of restricted rotation in N,N -bis(2-hydroxyethyl)acetamide ' , Journal of Molecular Structure , vol. 1113 , pp. 171-173 . https://doi.org/10.1016/j.molstruc.2016.02.030	en
dc.identifier.issn	0022-2860
dc.identifier.other	PURE: 240872862
dc.identifier.other	PURE UUID: 1e0e926f-12d8-4d01-8cd0-e2ad8a1461da
dc.identifier.other	Scopus: 84959010868
dc.identifier.other	ORCID: /0000-0001-6959-5311/work/34857570
dc.identifier.other	WOS: 000373544300020
dc.identifier.uri	https://hdl.handle.net/10023/10461
dc.description.abstract	N,N-bis(2-hydroxyethyl)acetamide shows restricted rotation about the amide bond in both 1H and 13C NMR spectra rendering the two hydroxyethyl groups non-equivalent. A variable temperature study in CD3SOCD3 allowed estimation of the free energy barrier to rotation as 75.6 ± 0.2 kJ mol–1. Previously published data in CDCl3 appears to be erroneous.
dc.format.extent	3
dc.language.iso	eng
dc.relation.ispartof	Journal of Molecular Structure	en
dc.rights	Copyright © 2016 Elsevier B.V. All rights reserved. This work is made available online in accordance with the publisher’s policies. This is the author created, accepted version manuscript following peer review and may differ slightly from the final published version. The final published version of this work is available at: https://dx.doi.org/10.1016/j.molstruc.2016.02.030	en
dc.subject	Variable temperature NMR	en
dc.subject	Restricted rotation	en
dc.subject	Amide bond	en
dc.subject	QD Chemistry	en
dc.subject	NDAS	en
dc.subject.lcc	QD	en
dc.title	Variable temperature 1H and 13C NMR study of restricted rotation in N,N-bis(2-hydroxyethyl)acetamide	en
dc.type	Journal article	en
dc.description.version	Postprint	en
dc.contributor.institution	University of St Andrews. School of Chemistry	en
dc.contributor.institution	University of St Andrews. EaSTCHEM	en
dc.identifier.doi	https://doi.org/10.1016/j.molstruc.2016.02.030
dc.description.status	Peer reviewed	en
dc.date.embargoedUntil	2017-03-13
dc.identifier.url	http://www.sciencedirect.com/science/article/pii/S0022286016301247#appd001	en

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