2012
DOI: 10.1021/ic301115b
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A Six-Coordinate Ytterbium Complex Exhibiting Easy-Plane Anisotropy and Field-Induced Single-Ion Magnet Behavior

Abstract: The field-induced blockage of magnetization behavior was first observed in an Yb(III)-based molecule with a trigonally distorted octahedral coordination environment. Ab initio calculations and micro-SQUID measurements were performed to demonstrate the exhibition of easy-plane anisotropy, suggesting the investigated complex is the first pure lanthanide field-induced single-ion magnet (field-induced SIM) of this type. Furthermore, we found the relaxation time obeys a power law instead of an exponential law, indi… Show more

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Cited by 231 publications
(124 citation statements)
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“…This underlines the difficulties already observed in the literature to efficiently model both the wavefunction and the energy of the low-lying multiplets of Yb III based SMM. Indeed, whereas for Dy III complexes it is admitted that a CASSCF/SI-SO approach correctly describes the magnetic behavior, for Yb III molecules, examples exist where a CASSCF/SI-SO is sufficient [6]; however, adding dynamical correlation through a PT2 treatment is mandatory in some other cases [31]. Ultimately, the present Yb complex joined the Yb(Murex) 3 complex in the list of complexes for which the ab initio procedure dramatically failed [32,33].…”
Section: Resultsmentioning
confidence: 87%
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“…This underlines the difficulties already observed in the literature to efficiently model both the wavefunction and the energy of the low-lying multiplets of Yb III based SMM. Indeed, whereas for Dy III complexes it is admitted that a CASSCF/SI-SO approach correctly describes the magnetic behavior, for Yb III molecules, examples exist where a CASSCF/SI-SO is sufficient [6]; however, adding dynamical correlation through a PT2 treatment is mandatory in some other cases [31]. Ultimately, the present Yb complex joined the Yb(Murex) 3 complex in the list of complexes for which the ab initio procedure dramatically failed [32,33].…”
Section: Resultsmentioning
confidence: 87%
“…In this way, the best candidates for each category are the oblate Dy III ion when the ligand charge distribution is axial and the prolate Yb III ion when this distribution is planar. Moreover lanthanide emission properties were recently exploited in this respect as a probe of the ligand field splitting in SMM [4][5][6][7][8][9][10][11][12]. The versatility of ligand chemistry allows adding one or more physical properties to the SMM behavior [13,14].…”
Section: Introductionmentioning
confidence: 99%
“…Indeed, it is now accepted that engineering the crystal field splitting of highly axial anisotropic magnetic centers does not necessarily lead to an improved performance of single ion magnets. [7] Instead, there may appear other dominant relaxation processes that are not dependent on the magnitude of the energy barrier, [10] such as the spin-phonon coupling. In this sense, there are already authors claiming that both the role and tuning of spin-lattice/local vibrations interaction remain an open problem which impedes a clear and concise strategy for enhancing the properties either molecular spin qubits or single molecule magnets.…”
Section: Introductionmentioning
confidence: 99%
“…It is noteworthy, however, that after the suppressing of QTM through applying external dc field, the deviation from Arrhenius law was still seen, which indicates the presence of multiple relaxation processes, this is reported in few SIMs. [27][28][29] In view of this, we fitted the magnetic data with the following equation, which considered the spin-lattice relaxation occurred through both Raman and Orbach processes: [30] 1/τ = CT n + τ 0 -1 exp(-U eff /kT)…”
Section: Magnetic Propertiesmentioning
confidence: 99%