Paramagnetic Properties and Moderately RapidConformational Dynamics in the Cobalt(II) Calix[4]arene Complex by NMR

(1)H NMR measurements are reported for the CD(2)Cl(2)/CDCl(3) solutions of the Co(II) calix[4]arenetetraphosphineoxide complex (I). Temperature dependences of the (1)H NMR spectra of I have been analyzed using the line shape analysis, taking into account the temperature variation of paramagnetic che...

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Autores principales: Zapolotsky, Eugeny Nikolaevich, Babailov, Sergey Pavlovich, Kostin, Gennadiy Alexandrovich
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9317762/
https://www.ncbi.nlm.nih.gov/pubmed/35889541
http://dx.doi.org/10.3390/molecules27144668
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author Zapolotsky, Eugeny Nikolaevich
Babailov, Sergey Pavlovich
Kostin, Gennadiy Alexandrovich
author_facet Zapolotsky, Eugeny Nikolaevich
Babailov, Sergey Pavlovich
Kostin, Gennadiy Alexandrovich
author_sort Zapolotsky, Eugeny Nikolaevich
collection PubMed
description (1)H NMR measurements are reported for the CD(2)Cl(2)/CDCl(3) solutions of the Co(II) calix[4]arenetetraphosphineoxide complex (I). Temperature dependences of the (1)H NMR spectra of I have been analyzed using the line shape analysis, taking into account the temperature variation of paramagnetic chemical shifts, within the frame of the dynamic NMR method. Conformational dynamics of the 2:1 Co(II) calix[4]arene complexes was conditioned by the pinched cone ↔pinched cone interconversion of I (with activation Gibbs energy ΔG(≠)(298K) = 40 ± 3 kJ/mol. Due to substantial temperature dependence of paramagnetic shifts, complex I can be used as model compound for designing an NMR thermosensor reagent for local temperature monitoring.
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spelling pubmed-93177622022-07-27 Paramagnetic Properties and Moderately RapidConformational Dynamics in the Cobalt(II) Calix[4]arene Complex by NMR Zapolotsky, Eugeny Nikolaevich Babailov, Sergey Pavlovich Kostin, Gennadiy Alexandrovich Molecules Article (1)H NMR measurements are reported for the CD(2)Cl(2)/CDCl(3) solutions of the Co(II) calix[4]arenetetraphosphineoxide complex (I). Temperature dependences of the (1)H NMR spectra of I have been analyzed using the line shape analysis, taking into account the temperature variation of paramagnetic chemical shifts, within the frame of the dynamic NMR method. Conformational dynamics of the 2:1 Co(II) calix[4]arene complexes was conditioned by the pinched cone ↔pinched cone interconversion of I (with activation Gibbs energy ΔG(≠)(298K) = 40 ± 3 kJ/mol. Due to substantial temperature dependence of paramagnetic shifts, complex I can be used as model compound for designing an NMR thermosensor reagent for local temperature monitoring. MDPI 2022-07-21 /pmc/articles/PMC9317762/ /pubmed/35889541 http://dx.doi.org/10.3390/molecules27144668 Text en © 2022 by the authors. 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 Article
Zapolotsky, Eugeny Nikolaevich
Babailov, Sergey Pavlovich
Kostin, Gennadiy Alexandrovich
Paramagnetic Properties and Moderately RapidConformational Dynamics in the Cobalt(II) Calix[4]arene Complex by NMR
title Paramagnetic Properties and Moderately RapidConformational Dynamics in the Cobalt(II) Calix[4]arene Complex by NMR
title_full Paramagnetic Properties and Moderately RapidConformational Dynamics in the Cobalt(II) Calix[4]arene Complex by NMR
title_fullStr Paramagnetic Properties and Moderately RapidConformational Dynamics in the Cobalt(II) Calix[4]arene Complex by NMR
title_full_unstemmed Paramagnetic Properties and Moderately RapidConformational Dynamics in the Cobalt(II) Calix[4]arene Complex by NMR
title_short Paramagnetic Properties and Moderately RapidConformational Dynamics in the Cobalt(II) Calix[4]arene Complex by NMR
title_sort paramagnetic properties and moderately rapidconformational dynamics in the cobalt(ii) calix[4]arene complex by nmr
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9317762/
https://www.ncbi.nlm.nih.gov/pubmed/35889541
http://dx.doi.org/10.3390/molecules27144668
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