التفاصيل البيبلوغرافية
| العنوان: |
Rationalizing the sign and magnitude of the magnetic coupling and anisotropy in dinuclear manganese(iii) complexes |
| المؤلفون: |
Craig M. Forsyth, Kuduva R. Vignesh, Christopher J. Gartshore, Gopalan Rajaraman, Keith S. Murray, Ivana Borilovic, Stuart K. Langley |
| المصدر: |
Dalton transactions (Cambridge, England : 2003). 47(34) |
| سنة النشر: |
2018 |
| مصطلحات موضوعية: |
STRUCTURAL-CHARACTERIZATION, Materials science, THEORETICAL PERSPECTIVE, MAGNETOSTRUCTURAL CORRELATIONS, POTENTIAL BIOLOGICAL SIGNIFICANCE, Dihedral angle, 010402 general chemistry, 01 natural sciences, Inorganic Chemistry, LACTOBACILLUS-PLANTARUM, Anisotropy, TERMINAL MONODENTATE LIGANDS, 010405 organic chemistry, GAUSSIAN-BASIS SETS, SPIN GROUND-STATE, Inductive coupling, TRANSITION-METAL-COMPLEXES, SINGLE-MOLECULE MAGNETS, 0104 chemical sciences, Bond length, Magnetic anisotropy, Crystallography, Molecular geometry, Exchange bias, Ferromagnetism, Condensed Matter::Strongly Correlated Electrons |
| الوصف: |
© 2018 The Royal Society of Chemistry. We have synthesised twelve manganese(iii) dinuclear complexes, 1-12, in order to understand the origin of magnetic exchange (J) between the metal centres and the magnetic anisotropy (D) of each metal ion using a combined experimental and theoretical approach. All twelve complexes contain the same bridging ligand environment of one μ-oxo and two μ-carboxylato, that helped us to probe how the structural parameters, such as bond distance, bond angle and especially Jahn-Teller dihedral angle affect the magnetic behaviour. Among the twelve complexes, we found ferromagnetic coupling for five and antiferromagnetic coupling for seven. DFT computed the J and ab initio methods computed the D parameter, and are in general agreement with the experimentally determined values. The dihedral angle between the two Jahn-Teller axes of the constituent MnIII ions are found to play a key role in determining the sign of the magnetic coupling. Magneto-structural correlations are developed by varying the Mn-O distance and the Mn-O-Mn angle to understand how the magnetic coupling changes upon these structural changes. Among the developed correlations, the Mn-O distance is found to be the most sensitive parameter that switches the sign of the magnetic coupling from negative to positive. The single-ion zero-field splitting of the MnIII centres is found to be negative for complexes 1-11 and positive for complex 12. However, the zero-field splitting of the S = 4 state for the ferromagnetic coupled dimers is found to be positive, revealing a significant contribution from the exchange anisotropy-a parameter which has long been ignored as being too small to be effective. |
| وصف الملف: |
text |
| تدمد: |
1477-9234 |
| URL الوصول: |
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::41dd1a0f6a49c710723f6b2a0edcedfc
https://pubmed.ncbi.nlm.nih.gov/29951677 |
| Rights: |
OPEN |
| رقم الانضمام: |
edsair.doi.dedup.....41dd1a0f6a49c710723f6b2a0edcedfc |
| قاعدة البيانات: |
OpenAIRE |