Please use this identifier to cite or link to this item: https://doi.org/10.1021/jacs.6b12374
Title: Pursuit of Record Breaking Energy Barriers: A Study of Magnetic Axiality in Diamide Ligated Dy-III Single-Molecule Magnets
Authors: Harriman, Katie LM
Brosmer, Jonathan L
Ungur, Liviu 
Diaconescu, Paula L
Murugesu, Muralee
Keywords: Science & Technology
Physical Sciences
Chemistry, Multidisciplinary
Chemistry
ION MAGNETS
LANTHANIDE COMPLEXES
SYMMETRY
TEMPERATURE
ANISOTROPY
BLOCKING
RELAXATION
DESIGN
SALTS
Issue Date: 1-Feb-2017
Publisher: AMER CHEMICAL SOC
Citation: Harriman, Katie LM, Brosmer, Jonathan L, Ungur, Liviu, Diaconescu, Paula L, Murugesu, Muralee (2017-02-01). Pursuit of Record Breaking Energy Barriers: A Study of Magnetic Axiality in Diamide Ligated Dy-III Single-Molecule Magnets. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 139 (4) : 1420-1423. ScholarBank@NUS Repository. https://doi.org/10.1021/jacs.6b12374
Abstract: DyIII single-ion magnets (SIMs) with strong axial donors and weak equatorial ligands are attractive model systems with which to harness the maximum magnetic anisotropy of DyIII ions. Utilizing a rigid ferrocene diamide ligand (NNTBS), a DyIII SIM, (NNTBS)DyI(THF)2, 1-Dy (NNTBS = fc(NHSitBuMe2)2, fc = 1,1′-ferrocenediyl), composed of a near linear arrangement of donor atoms, exhibits a large energy barrier to spin reversal (770.8 K) and magnetic blocking (14 K). The effects of the transverse ligands on the magnetic and electronic structure of 1-Dy were investigated through ab initio methods, eliciting significant magnetic axiality, even in the fourth Kramers doublet, thus demonstrating the potential of rigid diamide ligands in the design of new SIMs with defined magnetic axiality.
Source Title: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
URI: https://scholarbank.nus.edu.sg/handle/10635/228798
ISSN: 0002-7863
1520-5126
DOI: 10.1021/jacs.6b12374
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