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Isotope Effects on Chemical Shifts in the Study of Hydrogen Bonds in Small Molecules

This review is giving a short introduction to the techniques used to investigate isotope effects on NMR chemical shifts. The review is discussing how isotope effects on chemical shifts can be used to elucidate the importance of either intra- or intermolecular hydrogen bonding in ionic liquids, of am...

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Autor principal: Hansen, Poul Erik
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9026942/
https://www.ncbi.nlm.nih.gov/pubmed/35458603
http://dx.doi.org/10.3390/molecules27082405
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author Hansen, Poul Erik
author_facet Hansen, Poul Erik
author_sort Hansen, Poul Erik
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description This review is giving a short introduction to the techniques used to investigate isotope effects on NMR chemical shifts. The review is discussing how isotope effects on chemical shifts can be used to elucidate the importance of either intra- or intermolecular hydrogen bonding in ionic liquids, of ammonium ions in a confined space, how isotope effects can help define dimers, trimers, etc., how isotope effects can lead to structural parameters such as distances and give information about ion pairing. Tautomerism is by advantage investigated by isotope effects on chemical shifts both in symmetric and asymmetric systems. The relationship between hydrogen bond energies and two-bond deuterium isotope effects on chemical shifts is described. Finally, theoretical calculations to obtain isotope effects on chemical shifts are looked into.
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spelling pubmed-90269422022-04-23 Isotope Effects on Chemical Shifts in the Study of Hydrogen Bonds in Small Molecules Hansen, Poul Erik Molecules Review This review is giving a short introduction to the techniques used to investigate isotope effects on NMR chemical shifts. The review is discussing how isotope effects on chemical shifts can be used to elucidate the importance of either intra- or intermolecular hydrogen bonding in ionic liquids, of ammonium ions in a confined space, how isotope effects can help define dimers, trimers, etc., how isotope effects can lead to structural parameters such as distances and give information about ion pairing. Tautomerism is by advantage investigated by isotope effects on chemical shifts both in symmetric and asymmetric systems. The relationship between hydrogen bond energies and two-bond deuterium isotope effects on chemical shifts is described. Finally, theoretical calculations to obtain isotope effects on chemical shifts are looked into. MDPI 2022-04-08 /pmc/articles/PMC9026942/ /pubmed/35458603 http://dx.doi.org/10.3390/molecules27082405 Text en © 2022 by the author. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Review
Hansen, Poul Erik
Isotope Effects on Chemical Shifts in the Study of Hydrogen Bonds in Small Molecules
title Isotope Effects on Chemical Shifts in the Study of Hydrogen Bonds in Small Molecules
title_full Isotope Effects on Chemical Shifts in the Study of Hydrogen Bonds in Small Molecules
title_fullStr Isotope Effects on Chemical Shifts in the Study of Hydrogen Bonds in Small Molecules
title_full_unstemmed Isotope Effects on Chemical Shifts in the Study of Hydrogen Bonds in Small Molecules
title_short Isotope Effects on Chemical Shifts in the Study of Hydrogen Bonds in Small Molecules
title_sort isotope effects on chemical shifts in the study of hydrogen bonds in small molecules
topic Review
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9026942/
https://www.ncbi.nlm.nih.gov/pubmed/35458603
http://dx.doi.org/10.3390/molecules27082405
work_keys_str_mv AT hansenpoulerik isotopeeffectsonchemicalshiftsinthestudyofhydrogenbondsinsmallmolecules