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Magnetic interactions in a series of homodinuclear lanthanide complexes

A series of seven isostructural homodinuclear lanthanide complexes are reported. The magnetic properties (ac and dc SQUID measurements) are discussed on the basis of the X-ray structural properties which show that the two lanthanide sites are structurally different. MCD spectroscopy of the dysprosiu...

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Main Authors: Comba, Peter (Author) , Großhauser, Michael (Author) , Klingeler, Rüdiger (Author) , Koo, Changhyun (Author) , Lan, Yanhua (Author) , Müller, Dennis (Author) , Park, Jaena (Author) , Powell, Annie (Author) , Riley, Mark J. (Author) , Wadepohl, Hubert (Author)
Format: Article (Journal)
Language:English
Published: November 20, 2015
In: Inorganic chemistry
Year: 2015, Volume: 54, Issue: 23, Pages: 11247-11258
ISSN:1520-510X
DOI:10.1021/acs.inorgchem.5b01673
Online Access:Verlag, lizenzpflichtig, Volltext: https://doi.org/10.1021/acs.inorgchem.5b01673
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Author Notes:Peter Comba, Michael Großhauser, Rüdiger Klingeler, Changhyun Koo, Yanhua Lan, Dennis Müller, Jaena Park, Annie Powell, Mark J. Riley, and Hubert Wadepohl
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Summary:A series of seven isostructural homodinuclear lanthanide complexes are reported. The magnetic properties (ac and dc SQUID measurements) are discussed on the basis of the X-ray structural properties which show that the two lanthanide sites are structurally different. MCD spectroscopy of the dysprosium(III) and neodymium(III) complexes ([DyIII2(L)(OAc)4]+ and [NdIII2(L)(OAc)4]+) allowed us to thoroughly analyze the ligand field, and high-frequency EPR spectroscopy of the gadolinium(III) species ([GdIII2(L)(OAc)4]+) showed the importance of dipolar coupling in these systems. An extensive quantum-chemical analysis of the dysprosium(III) complex ([DyIII2(L)(OAc)4]+), involving an ab initio (CASSCF) wave function, explicit spin-orbit coupling (RASSI-SO), and a ligand field analysis (Lines model and Stevens operators), is in full agreement with all experimental data (SQUID, HF-EPR, MCD) and specifically allowed us to accurately simulate the experimental χT versus T data, which therefore allowed us to establish a qualitative model for all relaxation pathways.
Item Description:Gesehen am 02.12.2020
Physical Description:Online Resource
ISSN:1520-510X
DOI:10.1021/acs.inorgchem.5b01673

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