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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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Hauptverfasser: Comba, Peter (VerfasserIn) , Großhauser, Michael (VerfasserIn) , Klingeler, Rüdiger (VerfasserIn) , Koo, Changhyun (VerfasserIn) , Lan, Yanhua (VerfasserIn) , Müller, Dennis (VerfasserIn) , Park, Jaena (VerfasserIn) , Powell, Annie (VerfasserIn) , Riley, Mark J. (VerfasserIn) , Wadepohl, Hubert (VerfasserIn)
Dokumenttyp: Article (Journal)
Sprache:Englisch
Veröffentlicht: November 20, 2015
In: Inorganic chemistry
Year: 2015, Jahrgang: 54, Heft: 23, Pages: 11247-11258
ISSN:1520-510X
DOI:10.1021/acs.inorgchem.5b01673
Online-Zugang:Verlag, lizenzpflichtig, Volltext: https://doi.org/10.1021/acs.inorgchem.5b01673
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Verfasserangaben:Peter Comba, Michael Großhauser, Rüdiger Klingeler, Changhyun Koo, Yanhua Lan, Dennis Müller, Jaena Park, Annie Powell, Mark J. Riley, and Hubert Wadepohl
Beschreibung
Zusammenfassung: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.
Beschreibung:Gesehen am 02.12.2020
Beschreibung:Online Resource
ISSN:1520-510X
DOI:10.1021/acs.inorgchem.5b01673

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