Validation of Ab‐Initio‐Predicted Magnetic Anisotropies and Magneto‐structural Correlations in Linear Hetero‐trinuclear DyIII‐NiII2 Compounds

Reported are single crystal SQUID and single crystal high‐frequency/high‐field EPR data of a trinuclear complex with a rare six‐coordinate coordination sphere of a DyIII center coupled to two terminal six‐coordinate NiII ions. The analysis of the single crystal spectroscopic parameters allows for an...

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Bibliographic Details
Published in:	Chemistry : a European journal Vol. 27; no. 36; pp. 9372 - 9382
Main Authors:	Comba, Peter, Enders, Markus, Großhauser, Michael, Hiller, Markus, Klingeler, Rüdiger, Koo, Changhyun, Müller, Dennis, Rajaraman, Gopalan, Swain, Abinash, Tavhelidse, Msia, Wadepohl, Hubert
Format:	Journal Article
Language:	English
Published:	Weinheim Wiley Subscription Services, Inc 25.06.2021
Subjects:	ab initio quantum-chemical calculations Chemistry Electron spin Field theory Ground state Ligands Magnetic properties NMR Nuclear magnetic resonance paramagnetic NMR spectroscopy Parameters single crystal HF-EPR spectroscopy single crystal SQUID magnetometry Single crystals six-coordinate dysprosium(III) Wave functions
ISSN:	0947-6539, 1521-3765
Online Access:	Get full text
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