期刊
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
卷 57, 期 52, 页码 17089-17093出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.201810156
关键词
cubanes; dysprosium; lanthanides; magnetic properties; single molecule toroics
资金
- University Claude Bernard Lyon 1
- Region Rhone-Alpes [CMIRA2015]
- European Commission through the ERC-AdG MolNano-Mas [267746]
- ANR [ANR-13-BS07-0022-01]
- ERC [725184]
- COST Action Molspin [CA 15128]
- European Research Council (ERC) [725184] Funding Source: European Research Council (ERC)
Molecular materials that possess a toroidal moment associated to a non-magnetic ground state are known as single-molecule toroics (SMTs) and are usually planar molecules. Herein, we report a Dy-4 cubane, namely [Dy-4(Bppd)(4)(mu(3)-OH)(4)(Pa)(4)(H2O)(4)]0.333H(2)O (where BppdH=1,3-Bis(pyridin-4-yl)propane-1,3-dione and PaH=2-Picolinic acid) for which magnetometry measurements and state-of-art abinitio calculations highlight SMT behavior in a tridimensional structure (3D-SMT). The in-depth theoretical analysis on the resulting low-lying energy states, along with their variation in function of the magnetic exchange pathways, allows further light to be shed on the description of single-molecule toroics and identify the coupling scheme that better reproduces the observed data.
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