Dihydrogen contacts observed by through-space indirect NMR coupling

“Through-space” indirect spin–spin couplings between hydrogen atoms formally separated by up to 18 covalent bonds have been detected by NMR experiments in model helical molecules. It is demonstrated that this coupling can provide crucial structural information on the molecular conformation in soluti...

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Autores principales: Dračínský, Martin, Buchta, Michal, Buděšínský, Miloš, Vacek-Chocholoušová, Jana, Stará, Irena G., Starý, Ivo, Malkina, Olga L.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Royal Society of Chemistry 2018
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6180313/
https://www.ncbi.nlm.nih.gov/pubmed/30319744
http://dx.doi.org/10.1039/c8sc02859a
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author Dračínský, Martin
Buchta, Michal
Buděšínský, Miloš
Vacek-Chocholoušová, Jana
Stará, Irena G.
Starý, Ivo
Malkina, Olga L.
author_facet Dračínský, Martin
Buchta, Michal
Buděšínský, Miloš
Vacek-Chocholoušová, Jana
Stará, Irena G.
Starý, Ivo
Malkina, Olga L.
author_sort Dračínský, Martin
collection PubMed
description “Through-space” indirect spin–spin couplings between hydrogen atoms formally separated by up to 18 covalent bonds have been detected by NMR experiments in model helical molecules. It is demonstrated that this coupling can provide crucial structural information on the molecular conformation in solution. The coupling pathways have been visualised and analysed by computational methods. The conformational dependence of the coupling is explained in terms of orbital interactions.
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spelling pubmed-61803132018-10-12 Dihydrogen contacts observed by through-space indirect NMR coupling Dračínský, Martin Buchta, Michal Buděšínský, Miloš Vacek-Chocholoušová, Jana Stará, Irena G. Starý, Ivo Malkina, Olga L. Chem Sci Chemistry “Through-space” indirect spin–spin couplings between hydrogen atoms formally separated by up to 18 covalent bonds have been detected by NMR experiments in model helical molecules. It is demonstrated that this coupling can provide crucial structural information on the molecular conformation in solution. The coupling pathways have been visualised and analysed by computational methods. The conformational dependence of the coupling is explained in terms of orbital interactions. Royal Society of Chemistry 2018-08-13 /pmc/articles/PMC6180313/ /pubmed/30319744 http://dx.doi.org/10.1039/c8sc02859a Text en This journal is © The Royal Society of Chemistry 2018 http://creativecommons.org/licenses/by/3.0/ This article is freely available. This article is licensed under a Creative Commons Attribution 3.0 Unported Licence (CC BY 3.0)
spellingShingle Chemistry
Dračínský, Martin
Buchta, Michal
Buděšínský, Miloš
Vacek-Chocholoušová, Jana
Stará, Irena G.
Starý, Ivo
Malkina, Olga L.
Dihydrogen contacts observed by through-space indirect NMR coupling
title Dihydrogen contacts observed by through-space indirect NMR coupling
title_full Dihydrogen contacts observed by through-space indirect NMR coupling
title_fullStr Dihydrogen contacts observed by through-space indirect NMR coupling
title_full_unstemmed Dihydrogen contacts observed by through-space indirect NMR coupling
title_short Dihydrogen contacts observed by through-space indirect NMR coupling
title_sort dihydrogen contacts observed by through-space indirect nmr coupling
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6180313/
https://www.ncbi.nlm.nih.gov/pubmed/30319744
http://dx.doi.org/10.1039/c8sc02859a
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