Theoretically predicted and experimentally observed relaxation pathways of two heterodinuclear 3d-4f complexes
The dinucleating ligand (1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)-tetrakis-(methylene)-tetrakis(2-methoxy-4-methylphenol), H4L, is well preorganized with an N4O2 octahedral site for a divalent transition metal ion and an O4 site (phenolates and methoxo donors, completed by added pivalates an...
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| Main Authors: | , , , , , |
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| Format: | Article (Journal) |
| Language: | English |
| Published: |
September 21, 2015
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| In: |
Zeitschrift für anorganische und allgemeine Chemie
Year: 2015, Volume: 641, Issue: 12/13, Pages: 2291-2299 |
| ISSN: | 1521-3749 |
| DOI: | 10.1002/zaac.201500595 |
| Online Access: | Verlag, lizenzpflichtig, Volltext: https://doi.org/10.1002/zaac.201500595 Verlag, lizenzpflichtig, Volltext: https://onlinelibrary.wiley.com/doi/abs/10.1002/zaac.201500595 
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| Author Notes: | Markus Bender, Peter Comba, Serhiy Demeshko, Michael Großhauser, Dennis Müller, and Hubert Wadepohl |
MARC
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| 245 | 1 | 0 | |a Theoretically predicted and experimentally observed relaxation pathways of two heterodinuclear 3d-4f complexes |c Markus Bender, Peter Comba, Serhiy Demeshko, Michael Großhauser, Dennis Müller, and Hubert Wadepohl |
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| 520 | |a The dinucleating ligand (1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)-tetrakis-(methylene)-tetrakis(2-methoxy-4-methylphenol), H4L, is well preorganized with an N4O2 octahedral site for a divalent transition metal ion and an O4 site (phenolates and methoxo donors, completed by added pivalates and solvent molecules) for lanthanide ions. Two 3d-4f complexes ([DyIIINiII(μ-H2L)piv2(OH2)]ClO4 and [DyIIICoII(μ-H2L)piv2(OH2)]ClO4) were prepared and fully characterized by X-ray molecular structures and electronic properties determined by ac and dc SQUID magnetometry. While the NiII based complex shows single-molecule magnetism (SMM), the CoII complex does not. With an extensive quantum-chemical analysis, this is shown to be due to a misalignment of the single ion anisotropies in the latter complex, and reasons for this are discussed. | ||
| 650 | 4 | |a Ab initio calculations | |
| 650 | 4 | |a Dinuclear complexes | |
| 650 | 4 | |a Lanthanides | |
| 650 | 4 | |a Magnetic anisotropy | |
| 650 | 4 | |a Magnetic properties | |
| 650 | 4 | |a Single-molecule magnetism | |
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| 700 | 1 | |a Wadepohl, Hubert |e VerfasserIn |0 (DE-588)1019812354 |0 (DE-627)691026572 |0 (DE-576)358886724 |4 aut | |
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