NMR estimation of the activation energy of conformational dynamics in the [Dy(DOTA)]− complex: Energetic manifestation of the gadolinium break Full article
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Polyhedron
ISSN: 1873-3719 , E-ISSN: 0277-5387 |
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| Output data | Year: 2022, Volume: 225, Pages: 116071 Pages count : 1 DOI: 10.1016/j.poly.2022.116071 | ||||
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Abstract:
The conformational dynamics of the paramagnetic complex [Dy(H2O)n(DOTA)] - has been studied by dynamic 1H NMR within the framework of the signal bandshape analysis technique taking into account the temperature variation of the lanthanide-induced shifts (LIS). The corresponding values of the free energy of activation ΔG≠298 were 68 kJ/mol for the SAP→TSAP transformation process, and 60 kJ/mol for the reverse transition (TSAP→SAP). In the series of [Ln(H2O)n(DOTA)]-complexes from praseodymium to lutetium, there is first a monotonic increase in the free energy of activation ΔG≠298 of the conformational transition up to Dy, then there is a gradual decrease in the activation barrier (as a manifestation of the gadolinium break effect).
Cite:
Zapolotsky E.N.
, Pershina E.A.
, Babailov S.P.
NMR estimation of the activation energy of conformational dynamics in the [Dy(DOTA)]− complex: Energetic manifestation of the gadolinium break
Polyhedron. 2022. V.225. P.116071. DOI: 10.1016/j.poly.2022.116071 WOS Scopus РИНЦ OpenAlex
NMR estimation of the activation energy of conformational dynamics in the [Dy(DOTA)]− complex: Energetic manifestation of the gadolinium break
Polyhedron. 2022. V.225. P.116071. DOI: 10.1016/j.poly.2022.116071 WOS Scopus РИНЦ OpenAlex
Identifiers:
| Web of science: | WOS:000844048100001 |
| Scopus: | 2-s2.0-85135364321 |
| Elibrary: | 56102868 |
| OpenAlex: | W4289527381 |