Effect of Ligand Substitution on Zero-Field Slow Magnetic Relaxation in Mononuclear Dy(III) β-Diketonate Complexes with Phenanthroline-Based Ligands

Effect of Ligand Substitution on Zero-Field Slow Magnetic Relaxation in Mononuclear Dy(III) β-Diketonate Complexes with Phenanthroline-Based Ligands

Herein, we report the synthesis, structure and magnetic properties of two mononuclear complexes of general formula [Dy(acac)3(L)], where L = 2,2-dimethyl-1,3-dioxolo[4,5-f][1,10] phenanthroline (1) or 1,10-phenanthroline-5,6-dione (2), and acac− = acetylacetonate anion. A distorted square-antiprisma...

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Bibliographic Details
Published in:Magnetochemistry Vol. 8; no. 11; p. 151
Main Authors: Gorshkov, Egor V., Korchagin, Denis V., Yureva, Elena A., Shilov, Gennadii V., Zhidkov, Mikhail V., Dmitriev, Alexei I., Efimov, Nikolay N., Palii, Andrew V., Aldoshin, Sergey M.
Format: Journal Article
Language:English
Published: Basel MDPI AG 01-11-2022
Subjects:
ab initio calculations
acetylacetonate
Analysis
Anions
Chemical synthesis
Coordination compounds
Crystal structure
eight-coordinate dysprosium (III) complexes
Electronic structure
Expected values
Geometry
Identification and classification
Ligands
Magnetic induction
Magnetic properties
Magnetic relaxation
Methods
Phenanthroline
Quantum chemistry
Quantum tunnelling
single molecule magnets
Structure
Symmetry
Russia
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Summary:Herein, we report the synthesis, structure and magnetic properties of two mononuclear complexes of general formula [Dy(acac)3(L)], where L = 2,2-dimethyl-1,3-dioxolo[4,5-f][1,10] phenanthroline (1) or 1,10-phenanthroline-5,6-dione (2), and acac− = acetylacetonate anion. A distorted square-antiprismatic N2O6 environment around the central Dy(III) ion is formed by three acetylacetonate anions and a phenanthroline-type ligand. Both complexes display a single-molecule magnet (SMM) behavior at zero applied magnetic field. Modification of the peripheral part of ligands L provide substantial effects both on the magnetic relaxation barrier Ueff and on the quantum tunneling of magnetization (QTM). Ab initio quantum-chemical calculations are used to analyze the electronic structure and magnetic properties.
ISSN:2312-7481
2312-7481
DOI:10.3390/magnetochemistry8110151