Nemec, Ivan ; Herchel, Radovan ; Svoboda, Ingrid ; Boča, Roman ; Trávníček, Zdeněk (2015)
Large and negative magnetic anisotropy in pentacoordinate mononuclear Ni(ii) Schiff base complexes.
In: Dalton Trans., 44 (20)
doi: 10.1039/c5dt00600g
Artikel, Bibliographie
Kurzbeschreibung (Abstract)
A series of pentacoordinate Ni(II) complexes of the general formula [Ni(L5)] (1-6) with various pentadentate Schiff base ligands H(2)L5 (originating in a condensation of aromatic ortho-hydroxy-aldehydes and aliphatic triamines) was synthesized and characterized by X-ray structure analysis and magnetometry. The alternations of substituents on the H2L parent ligand resulted in the complexes with the geometry varying between the square-pyramid and trigonal-bipyramid. In the compounds whose chromophore geometry is closer to a trigonal-bipyramid, a large and negative uniaxial anisotropy (D = -64 cm(-1)) was identified. Moreover, the simple linear expression for the axial zero-field splitting (ZFS) parameter, D/cm(-1) = 32.7(4.8) - 151(10)tau, was proposed, where tau (in degrees) stands for the Addison parameter. The results of magnetic analysis were also supported by ab initio CASSCF/NEVPT2 calculations of the ZFS splitting parameters D and E, and g tensors. Despite large and negative D-values of the reported compounds, slow relaxation of magnetization was not observed either in zero or non-zero static magnetic field, thus no single-molecule magnetic behaviour was detected.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2015 |
| Autor(en): | Nemec, Ivan ; Herchel, Radovan ; Svoboda, Ingrid ; Boča, Roman ; Trávníček, Zdeněk |
| Art des Eintrags: | Bibliographie |
| Titel: | Large and negative magnetic anisotropy in pentacoordinate mononuclear Ni(ii) Schiff base complexes |
| Sprache: | Englisch |
| Publikationsjahr: | 2015 |
| Verlag: | Royal Society of Chemistry |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | Dalton Trans. |
| Jahrgang/Volume einer Zeitschrift: | 44 |
| (Heft-)Nummer: | 20 |
| DOI: | 10.1039/c5dt00600g |
| Kurzbeschreibung (Abstract): | A series of pentacoordinate Ni(II) complexes of the general formula [Ni(L5)] (1-6) with various pentadentate Schiff base ligands H(2)L5 (originating in a condensation of aromatic ortho-hydroxy-aldehydes and aliphatic triamines) was synthesized and characterized by X-ray structure analysis and magnetometry. The alternations of substituents on the H2L parent ligand resulted in the complexes with the geometry varying between the square-pyramid and trigonal-bipyramid. In the compounds whose chromophore geometry is closer to a trigonal-bipyramid, a large and negative uniaxial anisotropy (D = -64 cm(-1)) was identified. Moreover, the simple linear expression for the axial zero-field splitting (ZFS) parameter, D/cm(-1) = 32.7(4.8) - 151(10)tau, was proposed, where tau (in degrees) stands for the Addison parameter. The results of magnetic analysis were also supported by ab initio CASSCF/NEVPT2 calculations of the ZFS splitting parameters D and E, and g tensors. Despite large and negative D-values of the reported compounds, slow relaxation of magnetization was not observed either in zero or non-zero static magnetic field, thus no single-molecule magnetic behaviour was detected. |
| Fachbereich(e)/-gebiet(e): | 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Strukturforschung 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft 11 Fachbereich Material- und Geowissenschaften |
| Hinterlegungsdatum: | 21 Jan 2016 09:52 |
| Letzte Änderung: | 21 Jan 2016 09:52 |
| PPN: | |
| Sponsoren: | National Program of Sustainability I (LO1305) of the Ministry of Education, Youth and Sports of the Czech Republic, GACR 13-27355P, VEGA 1/0522/14, VEGA 1/0233/12, and APVV-0014-11 are acknowledged for the financial support. |
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