NMR estimation of the activation energy of conformational dynamics in the [Dy(DOTA)]− complex: Energetic manifestation of the gadolinium break

NMR estimation of the activation energy of conformational dynamics in the [Dy(DOTA)]− complex: Energetic manifestation of the gadolinium break Научная публикация

Журнал

Polyhedron
ISSN: 1873-3719 , E-ISSN: 0277-5387

Вых. Данные

Год: 2022, Том: 225, Страницы: 116071 Страниц : 1 DOI: 10.1016/j.poly.2022.116071

Авторы

Zapolotsky E.N. ¹ , Pershina E.A. ² , Babailov S.P. ¹

Организации

1	A.V. Nikolaev Institute of Inorganic Chemistry, Siberian Branch of the Russian Academy of Sciences, Novosibirsk, Russia
2	Novosibirsk State University, Novosibirsk, Russia

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).

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

Web of science:	WOS:000844048100001
Scopus:	2-s2.0-85135364321
РИНЦ:	56102868
OpenAlex:	W4289527381

БД	Цитирований
OpenAlex	4
Web of science	2
Scopus	3