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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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Main Authors: Cieslik, Patrick (Author) , Comba, Peter (Author) , Hergett, Waldemar (Author) , Klingeler, Rüdiger (Author) , Plny, Günter Finn Peter (Author) , Spillecke, Lena (Author) , Velmurugan, Gunasekaran (Author)
Format: Article (Journal)
Language:English
Published: 2021
In: Zeitschrift für anorganische und allgemeine Chemie
Year: 2021, Volume: 647, Issue: 8, Pages: 843-849
ISSN:1521-3749
DOI:10.1002/zaac.202000475
Online Access: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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Author Notes:Patrick Cieslik, Peter Comba, Waldemar Hergett, Rüdiger Klingeler, Günter Finn Peter Plny, Lena Spillecke, and Gunasekaran Velmurugan
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Summary: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.
Item Description:Gesehen am 17.04.2023
Physical Description:Online Resource
ISSN:1521-3749
DOI:10.1002/zaac.202000475

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