- AutorIn
- Nina M. Strassner Friedrich-Alexander-University Erlangen-Nuremberg, Department of Chemistry and Pharmacy
- Sergej StipurinTechnische Universität Dresden, Faculty of Chemistry and Food Chemistry, Physical Organic Chemistry
- Dr. Primož KoželjMax-Planck-Institute for Chemical Physics of Solids
- Prof. Yuri Grin
- Prof. Dr. Thomas Strassner
- Titel
- Electronic Structure and Magnetic Properties of a High-Spin MnIII Complex
- Untertitel
- [Mn(mesacac)3] (mesacac = 1,3-Bis(2,4,6-trimethylphenyl)-propane-1,3-dionato)
- Zitierfähige Url:
- https://nbn-resolving.org/urn:nbn:de:bsz:14-qucosa2-898676
- Quellenangabe
- ChemPhysChem
Erscheinungsjahr: 2023
Jahrgang: 24
Heft: 2
E-ISSN: 1439-7641
Artikelnummer: e202200652 - Erstveröffentlichung
- 2022
- Abstract (EN)
- Metal acetylacetonates of the general formula [M(acac)3] (MIII=Cr, Mn, Fe, Co) are among the best investigated coordination compounds. Many of these first-row transition metal complexes are known to have unique electronic properties. Independently, photophysical research with different β-diketonate ligands pointed towards the possibility of a special effect of the 2,4,6-trimethylphenyl substituted acetylacetonate (mesacac) on the electron distribution between ligand and metal (MLCT). We therefore synthesized and fully characterized the previously unknown octahedral title complex. Its solid-state structure shows a Jahn-Teller elongation with two Mn−O bonds of 2.12/2.15 Å and four Mn−O bonds of 1.93 Å. Thermogravimetric data show a thermal stability up to 270 °C. High-resolution mass spectroscopy helped to identify the decomposition pathways. The electronic state and spin configuration of manganese were characterized with a focus on its magnetic properties by measurement of the magnetic susceptibility and triple-zeta density functional theory (DFT) calculations. The high-spin state of manganese was confirmed by the determination of an effective magnetic moment of 4.85 μB for the manganese center.
- Andere Ausgabe
- Link zum Artikel der zuerst in der Zeitschrift „ChemPhysChem” bei Wiley erschienen ist.
DOI: 10.1002/cphc.202200652 - Freie Schlagwörter (DE)
- Mangan(III)-Hochspin, Magnetismus, Jahn-Teller-Verzerrung, Dichtefunktionalrechnungen, Röntgenstruktur
- Freie Schlagwörter (EN)
- manganese (III) high-spin, magnetism, Jahn–Teller distorsion, density functional calculations, X-ray structure
- Klassifikation (DDC)
- 540
- Verlag
- Wiley-VCH, Weinheim
- Version / Begutachtungsstatus
- publizierte Version / Verlagsversion
- URN Qucosa
- urn:nbn:de:bsz:14-qucosa2-898676
- Veröffentlichungsdatum Qucosa
- 01.03.2024
- Dokumenttyp
- Artikel
- Sprache des Dokumentes
- Englisch
- Lizenz / Rechtehinweis
- CC BY 4.0