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


ABSTRACT: 1H NMR measurements are reported for the CD2Cl2/CDCl3 solutions of the Co(II) calix[4]arenetetraphosphineoxide complex (I). Temperature dependences of the 1H 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 conepinched 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.

SUBMITTER: Zapolotsky EN 

PROVIDER: S-EPMC9317762 | biostudies-literature | 2022 Jul

REPOSITORIES: biostudies-literature

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

Zapolotsky Eugeny Nikolaevich EN   Babailov Sergey Pavlovich SP   Kostin Gennadiy Alexandrovich GA  

Molecules (Basel, Switzerland) 20220721 14


<sup>1</sup>H NMR measurements are reported for the CD<sub>2</sub>Cl<sub>2</sub>/CDCl<sub>3</sub> solutions of the Co(II) calix[4]arenetetraphosphineoxide complex (<b>I</b>). Temperature dependences of the <sup>1</sup>H NMR spectra of <b>I</b> 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 b  ...[more]

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