A Series of Novel Pentagonal-Bipyramidal Erbium(III) Complexes with Acyclic Chelating N3O2 Schiff-Base Ligands: Synthesis, Structure, and Magnetism

A series of six seven-coordinate pentagonal-bipyramidal (PBP) erbium complexes, with acyclic pentadentate [N3O2] Schiff-base ligands, 2,6-diacetylpyridine bis-(4-methoxybenzoylhydrazone) [H2DAPMBH], or 2,6-diacet...

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Autores principales:	Tamara A. Bazhenova, Vyacheslav A. Kopotkov, Denis V. Korchagin, Yuriy V. Manakin, Leokadiya V. Zorina, Sergey V. Simonov, Ilya A. Yakushev, Vladimir S. Mironov, Alexander N. Vasiliev, Olga V. Maximova, Eduard B. Yagubskii
Formato:	article
Lenguaje:	EN
Publicado:	MDPI AG 2021
Materias:	field-induced single-molecular magnets seven-coordinate complexes Er(III) complexes ligands H<sub>2</sub>DAPMBH and H<sub>4</sub>DAPS crystal structure DC and AC magnetic properties Organic chemistry QD241-441
Acceso en línea:	https://doaj.org/article/dfb9bbc5019845dba96fb6aa29936205
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spelling	oai:doaj.org-article:dfb9bbc5019845dba96fb6aa299362052021-11-25T18:28:22ZA Series of Novel Pentagonal-Bipyramidal Erbium(III) Complexes with Acyclic Chelating <i>N<sub>3</sub>O<sub>2</sub></i> Schiff-Base Ligands: Synthesis, Structure, and Magnetism10.3390/molecules262269081420-3049https://doaj.org/article/dfb9bbc5019845dba96fb6aa299362052021-11-01T00:00:00Zhttps://www.mdpi.com/1420-3049/26/22/6908https://doaj.org/toc/1420-3049A series of six seven-coordinate pentagonal-bipyramidal (PBP) erbium complexes, with acyclic pentadentate [<i>N<sub>3</sub>O<sub>2</sub></i>] Schiff-base ligands, 2,6-diacetylpyridine bis-(4-methoxybenzoylhydrazone) [H<sub>2</sub>DAPMBH], or 2,6-diacethylpyridine bis(salicylhydrazone) [H<sub>4</sub>DAPS], and various apical ligands in different charge states were synthesized: [Er(DAPMBH)(C<sub>2</sub>H<sub>5</sub>OH)Cl] (<b>1</b>); [Er(DAPMBH)(H<sub>2</sub>O)Cl]·2C<sub>2</sub>H<sub>5</sub>OH (<b>2</b>); [Er(DAPMBH)(CH<sub>3</sub>OH)Cl] (<b>3</b>); [Er(DAPMBH)(CH<sub>3</sub>OH)(N<sub>3</sub>)] (<b>4</b>); [(Et<sub>3</sub>H)N]<sup>+</sup>[Er(H<sub>2</sub>DAPS)Cl<sub>2</sub>]<sup>−</sup> (<b>5</b>); and [(Et<sub>3</sub>H)N]<sup>+</sup>[Y<sub>0</sub>.<sub>95</sub>Er<sub>0</sub>.<sub>05</sub>(H<sub>2</sub>DAPS)Cl<sub>2</sub>]<sup>−</sup> (<b>6</b>). The physicochemical properties, crystal structures, and the DC and AC magnetic properties of <b>1</b>–<b>6</b> were studied. The AC magnetic measurements revealed that most of Compounds <b>1</b>–<b>6</b> are field-induced single-molecule magnets, with estimated magnetization energy barriers, <i>U</i><sub>eff</sub> ≈ 16–28 K. The experimental study of the magnetic properties was complemented by theoretical analysis based on ab initio and crystal field calculations. An experimental and theoretical study of the magnetism of <b>1</b>–<b>6</b> shows the subtle impact of the type and charge state of the axial ligands on the SMM properties of these complexes.Tamara A. BazhenovaVyacheslav A. KopotkovDenis V. KorchaginYuriy V. ManakinLeokadiya V. ZorinaSergey V. SimonovIlya A. YakushevVladimir S. MironovAlexander N. VasilievOlga V. MaximovaEduard B. YagubskiiMDPI AGarticlefield-induced single-molecular magnetsseven-coordinate complexesEr(III) complexesligands H<sub>2</sub>DAPMBH and H<sub>4</sub>DAPScrystal structureDC and AC magnetic propertiesOrganic chemistryQD241-441ENMolecules, Vol 26, Iss 6908, p 6908 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	field-induced single-molecular magnets seven-coordinate complexes Er(III) complexes ligands H<sub>2</sub>DAPMBH and H<sub>4</sub>DAPS crystal structure DC and AC magnetic properties Organic chemistry QD241-441
spellingShingle	field-induced single-molecular magnets seven-coordinate complexes Er(III) complexes ligands H<sub>2</sub>DAPMBH and H<sub>4</sub>DAPS crystal structure DC and AC magnetic properties Organic chemistry QD241-441 Tamara A. Bazhenova Vyacheslav A. Kopotkov Denis V. Korchagin Yuriy V. Manakin Leokadiya V. Zorina Sergey V. Simonov Ilya A. Yakushev Vladimir S. Mironov Alexander N. Vasiliev Olga V. Maximova Eduard B. Yagubskii A Series of Novel Pentagonal-Bipyramidal Erbium(III) Complexes with Acyclic Chelating <i>N<sub>3</sub>O<sub>2</sub></i> Schiff-Base Ligands: Synthesis, Structure, and Magnetism
description	A series of six seven-coordinate pentagonal-bipyramidal (PBP) erbium complexes, with acyclic pentadentate [<i>N<sub>3</sub>O<sub>2</sub></i>] Schiff-base ligands, 2,6-diacetylpyridine bis-(4-methoxybenzoylhydrazone) [H<sub>2</sub>DAPMBH], or 2,6-diacethylpyridine bis(salicylhydrazone) [H<sub>4</sub>DAPS], and various apical ligands in different charge states were synthesized: [Er(DAPMBH)(C<sub>2</sub>H<sub>5</sub>OH)Cl] (<b>1</b>); [Er(DAPMBH)(H<sub>2</sub>O)Cl]·2C<sub>2</sub>H<sub>5</sub>OH (<b>2</b>); [Er(DAPMBH)(CH<sub>3</sub>OH)Cl] (<b>3</b>); [Er(DAPMBH)(CH<sub>3</sub>OH)(N<sub>3</sub>)] (<b>4</b>); [(Et<sub>3</sub>H)N]<sup>+</sup>[Er(H<sub>2</sub>DAPS)Cl<sub>2</sub>]<sup>−</sup> (<b>5</b>); and [(Et<sub>3</sub>H)N]<sup>+</sup>[Y<sub>0</sub>.<sub>95</sub>Er<sub>0</sub>.<sub>05</sub>(H<sub>2</sub>DAPS)Cl<sub>2</sub>]<sup>−</sup> (<b>6</b>). The physicochemical properties, crystal structures, and the DC and AC magnetic properties of <b>1</b>–<b>6</b> were studied. The AC magnetic measurements revealed that most of Compounds <b>1</b>–<b>6</b> are field-induced single-molecule magnets, with estimated magnetization energy barriers, <i>U</i><sub>eff</sub> ≈ 16–28 K. The experimental study of the magnetic properties was complemented by theoretical analysis based on ab initio and crystal field calculations. An experimental and theoretical study of the magnetism of <b>1</b>–<b>6</b> shows the subtle impact of the type and charge state of the axial ligands on the SMM properties of these complexes.
format	article
author	Tamara A. Bazhenova Vyacheslav A. Kopotkov Denis V. Korchagin Yuriy V. Manakin Leokadiya V. Zorina Sergey V. Simonov Ilya A. Yakushev Vladimir S. Mironov Alexander N. Vasiliev Olga V. Maximova Eduard B. Yagubskii
author_facet	Tamara A. Bazhenova Vyacheslav A. Kopotkov Denis V. Korchagin Yuriy V. Manakin Leokadiya V. Zorina Sergey V. Simonov Ilya A. Yakushev Vladimir S. Mironov Alexander N. Vasiliev Olga V. Maximova Eduard B. Yagubskii
author_sort	Tamara A. Bazhenova
title	A Series of Novel Pentagonal-Bipyramidal Erbium(III) Complexes with Acyclic Chelating <i>N<sub>3</sub>O<sub>2</sub></i> Schiff-Base Ligands: Synthesis, Structure, and Magnetism
title_short	A Series of Novel Pentagonal-Bipyramidal Erbium(III) Complexes with Acyclic Chelating <i>N<sub>3</sub>O<sub>2</sub></i> Schiff-Base Ligands: Synthesis, Structure, and Magnetism
title_full	A Series of Novel Pentagonal-Bipyramidal Erbium(III) Complexes with Acyclic Chelating <i>N<sub>3</sub>O<sub>2</sub></i> Schiff-Base Ligands: Synthesis, Structure, and Magnetism
title_fullStr	A Series of Novel Pentagonal-Bipyramidal Erbium(III) Complexes with Acyclic Chelating <i>N<sub>3</sub>O<sub>2</sub></i> Schiff-Base Ligands: Synthesis, Structure, and Magnetism
title_full_unstemmed	A Series of Novel Pentagonal-Bipyramidal Erbium(III) Complexes with Acyclic Chelating <i>N<sub>3</sub>O<sub>2</sub></i> Schiff-Base Ligands: Synthesis, Structure, and Magnetism
title_sort	series of novel pentagonal-bipyramidal erbium(iii) complexes with acyclic chelating <i>n<sub>3</sub>o<sub>2</sub></i> schiff-base ligands: synthesis, structure, and magnetism
publisher	MDPI AG
publishDate	2021
url	https://doaj.org/article/dfb9bbc5019845dba96fb6aa29936205
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A Series of Novel Pentagonal-Bipyramidal Erbium(III) Complexes with Acyclic Chelating <i>N<sub>3</sub>O<sub>2</sub></i> Schiff-Base Ligands: Synthesis, Structure, and Magnetism

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