A Series of Novel Pentagonal-Bipyramidal Erbium(III) Complexes with Acyclic Chelating N3O2 Schiff-Base Ligands: Synthesis, Structure, and Magnetism
| Autor: | Sergey V. Simonov, Vyacheslav A. Kopotkov, Yuriy V. Manakin, Denis V. Korchagin, Eduard B. Yagubskii, Ilya A. Yakushev, Leokadiya V. Zorina, Vladimir S. Mironov, Alexander N. Vasiliev, Olga V. Maximova, T. A. Bazhenova |
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| Jazyk: | angličtina |
| Rok vydání: | 2021 |
| Předmět: |
crystal structure
Materials science DC and AC magnetic properties Magnetism Ab initio Pharmaceutical Science Crystal structure Article Analytical Chemistry Crystal ligands H2DAPMBH and H4DAPS Magnetization chemistry.chemical_compound QD241-441 Pentagonal bipyramidal molecular geometry Drug Discovery Er(III) complexes Chelation Physical and Theoretical Chemistry seven-coordinate complexes Schiff base field-induced single-molecular magnets Organic Chemistry Crystallography chemistry Chemistry (miscellaneous) Molecular Medicine |
| Zdroj: | Molecules Volume 26 Issue 22 Molecules, Vol 26, Iss 6908, p 6908 (2021) |
| ISSN: | 1420-3049 |
| DOI: | 10.3390/molecules26226908 |
| Popis: | 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-diacethylpyridine bis(salicylhydrazone) [H4DAPS], and various apical ligands in different charge states were synthesized: [Er(DAPMBH)(С2Н5ОН)Cl] (1) [Er(DAPMBH)(Н2О)Cl]·2C2H5OH (2) [Er(DAPMBH)(СН3ОН)Cl] (3) [Er(DAPMBH)(СН3ОН)(N3)] (4) [(Et3H)N]+[Er(Н2DAPS)Cl2]− (5) and [(Et3H)N]+[Y0.95Er0.05(Н2DAPS)Cl2]− (6). The physicochemical properties, crystal structures, and the DC and AC magnetic properties of 1-6 were studied. The AC magnetic measurements revealed that most of Compounds 1-6 are field-induced single-molecule magnets, with estimated magnetization energy barriers, Ueff ≈ 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 1-6 shows the subtle impact of the type and charge state of the axial ligands on the SMM properties of these complexes. |
| Databáze: | OpenAIRE |
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