The Structural and Magnetic Properties of Fe<sup>II</sup> and Co<sup>II</sup> Complexes with 2-(furan-2-yl)-5-pyridin-2-yl-1,3,4-oxadiazole
Two novel coordination compounds containing heterocyclic bidentate <i>N</i>,<i>N</i>-donor ligand 2-(furan-2-yl)-5-(pyridin-2-yl)-1,3,4-oxadiazole (fpo) were synthesized. A general formula for compounds originating from perchlorates of iron, cobalt, and fpo can be written as:...
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MDPI AG
2020-01-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/25/2/277 |
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| author | Pavel Zoufalý Erik Čižmár Juraj Kuchár Radovan Herchel |
| author_facet | Pavel Zoufalý Erik Čižmár Juraj Kuchár Radovan Herchel |
| author_sort | Pavel Zoufalý |
| collection | DOAJ |
| description | Two novel coordination compounds containing heterocyclic bidentate <i>N</i>,<i>N</i>-donor ligand 2-(furan-2-yl)-5-(pyridin-2-yl)-1,3,4-oxadiazole (fpo) were synthesized. A general formula for compounds originating from perchlorates of iron, cobalt, and fpo can be written as: [M(fpo)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>](ClO<sub>4</sub>)<sub>2</sub> (M = Fe(II) for (<b>1</b>) Co(II) for (<b>2</b>)). The characterization of compounds was performed by general physico-chemical methods—elemental analysis (EA), Fourier transform infrared spectroscopy (FT-IR), nuclear magnetic resonance (NMR) in case of organics, and single crystal X-ray diffraction (sXRD). Moreover, magneto-chemical properties were studied employing measurements in static field (DC) for <b>1</b> and X-band EPR (Electron paramagnetic resonance), direct current (DC), and alternating current (AC) magnetic measurements in case of <b>2</b>. The analysis of DC magnetic properties revealed a high spin arrangement in <b>1</b>, significant rhombicity for both complexes, and large magnetic anisotropy in <b>2</b> (<i>D</i> = −21.2 cm<sup>−1</sup>). Moreover, <b>2</b> showed field-induced slow relaxation of the magnetization (<i>U</i><sub>eff</sub> = 65.3 K). EPR spectroscopy and ab initio calculations (CASSCF/NEVPT2) confirmed the presence of easy axis anisotropy and the importance of the second coordination sphere. |
| first_indexed | 2024-12-10T17:44:54Z |
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| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-12-10T17:44:54Z |
| publishDate | 2020-01-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-a2e9acb24ef24a2a946f22f4f1a390852022-12-22T01:39:16ZengMDPI AGMolecules1420-30492020-01-0125227710.3390/molecules25020277molecules25020277The Structural and Magnetic Properties of Fe<sup>II</sup> and Co<sup>II</sup> Complexes with 2-(furan-2-yl)-5-pyridin-2-yl-1,3,4-oxadiazolePavel Zoufalý0Erik Čižmár1Juraj Kuchár2Radovan Herchel3Department of Inorganic Chemistry, Faculty of Science, Palacký University, 17. Listopadu 12, CZ-771 46 Olomouc, Czech RepublicInstitute of Physics, Faculty of Science, P.J. Šafárik University in Košice, Park Angelinum 9, SK-041 54 Košice, SlovakiaDepartment of Inorganic Chemistry, Faculty of Science, Palacký University, 17. Listopadu 12, CZ-771 46 Olomouc, Czech RepublicDepartment of Inorganic Chemistry, Faculty of Science, Palacký University, 17. Listopadu 12, CZ-771 46 Olomouc, Czech RepublicTwo novel coordination compounds containing heterocyclic bidentate <i>N</i>,<i>N</i>-donor ligand 2-(furan-2-yl)-5-(pyridin-2-yl)-1,3,4-oxadiazole (fpo) were synthesized. A general formula for compounds originating from perchlorates of iron, cobalt, and fpo can be written as: [M(fpo)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>](ClO<sub>4</sub>)<sub>2</sub> (M = Fe(II) for (<b>1</b>) Co(II) for (<b>2</b>)). The characterization of compounds was performed by general physico-chemical methods—elemental analysis (EA), Fourier transform infrared spectroscopy (FT-IR), nuclear magnetic resonance (NMR) in case of organics, and single crystal X-ray diffraction (sXRD). Moreover, magneto-chemical properties were studied employing measurements in static field (DC) for <b>1</b> and X-band EPR (Electron paramagnetic resonance), direct current (DC), and alternating current (AC) magnetic measurements in case of <b>2</b>. The analysis of DC magnetic properties revealed a high spin arrangement in <b>1</b>, significant rhombicity for both complexes, and large magnetic anisotropy in <b>2</b> (<i>D</i> = −21.2 cm<sup>−1</sup>). Moreover, <b>2</b> showed field-induced slow relaxation of the magnetization (<i>U</i><sub>eff</sub> = 65.3 K). EPR spectroscopy and ab initio calculations (CASSCF/NEVPT2) confirmed the presence of easy axis anisotropy and the importance of the second coordination sphere.https://www.mdpi.com/1420-3049/25/2/2771,3,4-oxadiazolesingle-molecule magnetsecond coordination sphere |
| spellingShingle | Pavel Zoufalý Erik Čižmár Juraj Kuchár Radovan Herchel The Structural and Magnetic Properties of Fe<sup>II</sup> and Co<sup>II</sup> Complexes with 2-(furan-2-yl)-5-pyridin-2-yl-1,3,4-oxadiazole Molecules 1,3,4-oxadiazole single-molecule magnet second coordination sphere |
| title | The Structural and Magnetic Properties of Fe<sup>II</sup> and Co<sup>II</sup> Complexes with 2-(furan-2-yl)-5-pyridin-2-yl-1,3,4-oxadiazole |
| title_full | The Structural and Magnetic Properties of Fe<sup>II</sup> and Co<sup>II</sup> Complexes with 2-(furan-2-yl)-5-pyridin-2-yl-1,3,4-oxadiazole |
| title_fullStr | The Structural and Magnetic Properties of Fe<sup>II</sup> and Co<sup>II</sup> Complexes with 2-(furan-2-yl)-5-pyridin-2-yl-1,3,4-oxadiazole |
| title_full_unstemmed | The Structural and Magnetic Properties of Fe<sup>II</sup> and Co<sup>II</sup> Complexes with 2-(furan-2-yl)-5-pyridin-2-yl-1,3,4-oxadiazole |
| title_short | The Structural and Magnetic Properties of Fe<sup>II</sup> and Co<sup>II</sup> Complexes with 2-(furan-2-yl)-5-pyridin-2-yl-1,3,4-oxadiazole |
| title_sort | structural and magnetic properties of fe sup ii sup and co sup ii sup complexes with 2 furan 2 yl 5 pyridin 2 yl 1 3 4 oxadiazole |
| topic | 1,3,4-oxadiazole single-molecule magnet second coordination sphere |
| url | https://www.mdpi.com/1420-3049/25/2/277 |
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