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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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Formato: | Online Artículo Texto |
Lenguaje: | English |
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MDPI
2022
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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 |
collection | PubMed |
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. |
format | Online Article Text |
id | pubmed-9026942 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
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 |