Specific Features of Binding Bioactive Organic Molecules with the Metallic Matrix of Heteronuclear 3d-4f Structures Containing Soft and Hard Metallocenters Using the Nd(III)–Cu(II) Complex as an Example

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Resumo

The polynuclear alanine hydroximate metallamacrocyclic complex Nd(C8H7NO4)(H2O)[15-
MCCu(II)Alaha-5](CH3COO) with the axial 3-hydroxy-4-pyridinone ligand is synthesized for the first time
from the (3-hydroxy-2-methyl-4-oxo-4H-pyridin-1-yl) acetate ligand. The X-ray diffraction (XRD) (CIF
file CCDC no. 2242224) and quantum chemical methods show that the interaction of ligand L with the Nd3+
ion retained due to ionic bonds with the oxygen atoms in the copper-containing metallamacrocyclic matrix
results in the formation of axial bonds (having a covalent contribution) between Nd3+ and the dioxolene fragment
of the pyridinone ligand. In topological and energy characteristics, these axial bond approach the bonds
of Cu2+ with the amine nitrogen atoms of the alanine hydroximate metallamacrocycle.

Sobre autores

M. Katkova

Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences, Nizhny Novgorod, Russia

Email: marina@iomc.ras.ru
Россия, Нижний Новгород

G. Zhigulin

Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences, Nizhny Novgorod, Russia

Email: marina@iomc.ras.ru
Россия, Нижний Новгород

E. Baranov

Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences, Nizhny Novgorod, Russia

Email: marina@iomc.ras.ru
Россия, Нижний Новгород

G. Zabrodina

Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences, Nizhny Novgorod, Russia

Email: marina@iomc.ras.ru
Россия, Нижний Новгород

M. Muravyeva

Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences, Nizhny Novgorod, Russia; Privolzhsky Research Medical University, Nizhny Novgorod, Russia

Email: marina@iomc.ras.ru
Россия, Нижний Новгород; Россия, Нижний Новгород

S. Ketkov

Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences, Nizhny Novgorod, Russia

Email: marina@iomc.ras.ru
Россия, Нижний Новгород

I. Fomina

Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Moscow, Russia

Email: marina@iomc.ras.ru
Россия, Москва

I. Eremenko

Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Moscow, Russia

Autor responsável pela correspondência
Email: marina@iomc.ras.ru
Россия, Москва

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Declaração de direitos autorais © М.А. Каткова, Г.Ю. Жигулин, Е.В. Баранов, Г.С. Забродина, М.С. Муравьева, С.Ю. Кетков, И.Г. Фомина, И.Л. Еременко, 2023