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Molecular magnetic properties of a dysprosium(III) complex coordinated to a nonadentate bispidine ligand

Description
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: 7
ISSN: 1521-3749
DOI: 10.1002/zaac.202000475