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Molecular Orientation of a Terbium(III)-Phthalocyaninato Double-Decker Complex for Effective Suppression of Quantum Tunneling of the Magnetization.

ABSTRACT: Single-molecule magnet (SMM) properties of crystals of a terbium(III)-phthalocyaninato double-decker complex with different molecular packings (1: TbPc?, 2: TbPc?·CH?Cl?) were studied to elucidate the relationship between the molecular packing and SMM properties. From single crystal X-ray analyses, the high symmetry of the coordination environment of 2 suggested that the SMM properties were improved. Furthermore, the shorter intermolecular Tb-Tb distance and relative collinear alignment of the magnetic dipole in 2 indicated that the magnetic dipole-dipole interactions were stronger than those in 1. This was confirmed by using direct current magnetic measurements. From alternating current magnetic measurements, the activation energy for spin reversal for 1 and 2 were similar. However, the relaxation time for 2 is three orders of magnitude slower than that for 1 in the low-T region due to effective suppression of the quantum tunneling of the magnetization. These results suggest that the SMM properties of TbPc? highly depend on the molecular packing.

SUBMITTER: Yamabayashi T

PROVIDER: S-EPMC6152734 | biostudies-literature | 2017 Jun

REPOSITORIES: biostudies-literature

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Molecular Orientation of a Terbium(III)-Phthalocyaninato Double-Decker Complex for Effective Suppression of Quantum Tunneling of the Magnetization.

Yamabayashi Tsutomu T Katoh Keiichi K Breedlove Brian K BK Yamashita Masahiro M

Molecules (Basel, Switzerland) 20170615 6

Single-molecule magnet (SMM) properties of crystals of a terbium(III)-phthalocyaninato double-decker complex with different molecular packings (1: TbPc₂, 2: TbPc₂·CH₂Cl₂) were studied to elucidate the relationship between the molecular packing and SMM properties. From single crystal X-ray analyses, the high symmetry of the coordination environment of 2 suggested that the SMM properties were improved. Furthermore, the shorter intermolecular Tb-Tb distance and relative colline ...[more]

PMID: 28617317

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Project description:The syntheses and properties of four magnetically-supramolecular oligomers of triangular Mn3 units are reported: dimeric [Mn6O2(O2CMe)8(CH3OH)2(pdpd)2] (3) and [Mn6O2(O2CMe)8(py)2(pdpd)2](ClO4)2 (4), and tetrameric [Mn12O4(O2CR)12(pdpd)6](ClO4)4 (R = Me (5), t Bu (6)). They were all obtained employing 3-phenyl-1,5-di(pyridin-2-yl)pentane-1,5-dione dioxime (pdpdH2), either in direct synthesis reactions involving oxidation of MnII salts or in metathesis reactions with the preformed complex [Mn3O(O2CMe)6(py)3](ClO4) (1); complex 6 was then obtained by carboxylate substitution on complex 5. Complexes 3 and 4 contain two [MnIII2MnII(μ3-O)]6+ and [MnIII3(μ3-O)]7+ units, respectively, linked by two pdpd2- groups. Complexes 5 and 6 contain four [MnIII3(μ3-O)]7+ units linked by six pdpd2- groups into a rectangular tetramer [MnIII3]4. Solid-state dc magnetic susceptibility studies showed that the Mn3 subunits in 3 and 4 have a ground-state spin of S = 3/2 and S = 2, respectively, while the Mn3 subunits in 5 and 6 possess an S = 6 ground state. Complexes 5 and 6 exhibit frequency-dependent out-of-phase (χ''M) ac susceptibility signals indicating 5 and 6 to be tetramers of Mn3 single-molecule magnets (SMMs). High-frequency EPR studies of a microcrystalline powder sample of 5·2CH2Cl2 provided precise spin Hamiltonian parameters of D = -0.33 cm-1, |E| = 0.03 cm-1, B04 = -8.0 × 10-5 cm-1, and g = 2.0. Magnetization vs. dc field sweeps on a single crystal of 5·xCH2Cl2 gave hysteresis loops below 1 K that exhibit exchange-biased quantum tunneling of magnetization (QTM) steps with a bias field of 0.19 T. Simulation of the loops determined that each Mn3 unit is exchange-coupled to the two neighbors linked to it by the pdpd2- linkers, with an antiferromagnetic inter-Mn3 exchange interaction of J/kB = -0.011 K (Ĥ = -2Jŝi ·ŝj convention). The work demonstrates a rational approach to synthesizing magnetically-supramolecular aggregates of SMMs as potential multi-qubit systems for quantum computing.

Dataset Information

Molecular Orientation of a Terbium(III)-Phthalocyaninato Double-Decker Complex for Effective Suppression of Quantum Tunneling of the Magnetization.

Publications

Molecular Orientation of a Terbium(III)-Phthalocyaninato Double-Decker Complex for Effective Suppression of Quantum Tunneling of the Magnetization.

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