Molecular magnetic properties of a dysprosium(III) complex coordinated to a nonadentate bispidine ligand
The DyIII complex of the nonadentate bispidine L1 (bispidine=3,7-diazabicyclo[3.3.1]nonane) has a capped square antiprismatic structure, known to lead to suppressed quantum relaxation of magnetization by quantum tunneling. [DyIIIL1]OTf indeed is an SMM with a modest barrier to magnetization relaxati...
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| Hauptverfasser: | , , , , , , |
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| Dokumenttyp: | Article (Journal) |
| Sprache: | Englisch |
| Veröffentlicht: |
2021
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| In: |
Zeitschrift für anorganische und allgemeine Chemie
Year: 2021, Jahrgang: 647, Heft: 8, Pages: 843-849 |
| ISSN: | 1521-3749 |
| DOI: | 10.1002/zaac.202000475 |
| Online-Zugang: | Verlag, kostenfrei, Volltext: https://doi.org/10.1002/zaac.202000475 Verlag, kostenfrei, Volltext: https://onlinelibrary.wiley.com/doi/abs/10.1002/zaac.202000475 
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| Verfasserangaben: | Patrick Cieslik, Peter Comba, Waldemar Hergett, Rüdiger Klingeler, Günter Finn Peter Plny, Lena Spillecke, and Gunasekaran Velmurugan |
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| 246 | 3 | 3 | |a Molecular magnetic properties of a dysprosium(three) complex coordinated to a nonadentate bispidine ligand |
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| 520 | |a The DyIII complex of the nonadentate bispidine L1 (bispidine=3,7-diazabicyclo[3.3.1]nonane) has a capped square antiprismatic structure, known to lead to suppressed quantum relaxation of magnetization by quantum tunneling. [DyIIIL1]OTf indeed is an SMM with a modest barrier to magnetization relaxation. The experimentally determined barrier of 46 cm−1 is confirmed by ab initio calculations (43.5 cm−1), and the quantum-chemical analysis indicates that ligand modifications, leading to a higher symmetry and a stronger axial ligand field should significantly increase the effective barrier to magnetization relaxation. | ||
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