Toward Molecular 4f Single-Ion Magnet Qubits

Pedersen, Kasper S.; Ariciu, Ana-Maria; McAdams, Simon G.; Weihe, Høgni; Bendix, Jesper; Tuna, Floriana; Piligkos, Stergios

doi:10.1021/jacs.6b02702

Cited by 232 publications

(228 citation statements)

References 54 publications

(43 reference statements)

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“…Thus, Ln III 2 complexes are highly desirable [10][11][12][13][14][15][16][17][18][19][20]. Another interesting area to which dinuclear lanthanide(III) complexes (and also mononuclear ones) are relevant is quantum computation; Ln III ions are promising candidates for encoding quantum information [21,22]. For the realization of a quantum gate, asymmetric dinuclear molecules composed of two weakly coupled Ln III qubits are promising [21].…”

Section: Introductionmentioning

confidence: 99%

Using the Singly Deprotonated Triethanolamine to Prepare Dinuclear Lanthanide(III) Complexes: Synthesis, Structural Characterization and Magnetic Studies

et al. 2017

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Abstract:The 1:1 reactions between hydrated lanthanide(III) nitrates and triethanolamine (teaH 3 ) in MeOH, in the absence of external bases, have provided access to the dinuclear complexes [Ln 2 (NO 3 ) 4 (teaH 2 ) 2 ] (Ln = Pr, 1; Ln = Gd, 2; Ln = Tb, 3; Ln = Dy, 4; Ln = Ho, 5) containing the singly deprotonated form of the ligand. Use of excess of the ligand in the same solvent gives mononuclear complexes containing the neutral ligand and the representative compound [Pr(NO 3 )(teaH 3 ) 2 ](NO 3 ) 2 (6) was characterized. The structures of the isomorphous complexes 1·2MeOH, 2·2MeOH and 4·2MeOH were solved by single-crystal X-ray crystallography; the other two dinuclear complexes are proposed to be isostructural with 1, 2 and 4 based on elemental analyses, IR spectra and powder XRD patterns. The IR spectra of 1-6 are discussed in terms of structural features of the complexes. The two Ln III atoms in centrosymmetric 1·2MeOH, 2·2MeOH and 4·2MeOH are doubly bridged by the deprotonated oxygen atoms of the two η 1 :η 1 :η 1 :η 2 :µ 2 teaH 2 − ligands. The teaH 2 − nitrogen atom and six terminal oxygen atoms (two from the neutral hydroxyl groups of teaH 2 − and four from two slightly anisobidentate chelating nitrato groups) complete 9-coordination at each 4f-metal center. The coordination geometries of the metal ions are spherical-relaxed capped cubic (1·2MeOH), Johnson tricapped trigonal prismatic (2·2MeOH) and spherical capped square antiprismatic (4·2MeOH). O-H···O H bonds create chains parallel to the a axis. The cation of 6 has crystallographic two fold symmetry and the rotation axis passes through the Pr III atom, the nitrogen atom of the coordinated nitrato group and the non-coordinated oxygen atom of the nitrato ligand. The metal ion is bound to the two η 1 :η 1 :η 1 :η 1 teaH 3 ligands and to one bidentate chelating nitrato group. The 10-coordinate Pr III atom has a sphenocoronal coordination geometry. Several H bonds are responsible for the formation of a 3D architecture in the crystal structure of 6. Complexes 1-6 are new members of a small family of homometallic Ln III complexes containing various forms of triethanolamine as ligands. Dc magnetic susceptibility studies in the 2-300 K range reveal the presence of a weak to moderate intramolecular antiferromagnetic exchange interaction (J = −0.30(2) cm −1 based on the spin HamiltonianĤ = −J(Ŝ Gd1 ·Ŝ Gd1 )) for 2 and probably weak antiferromagnetic exchange interactions within the molecules of 3-5. The antiferromagnetic Gd III ···Gd III interaction in 2 is discussed in terms of known magnetostructural correlations for complexes possessing the {Gd 2 (µ 2 -OR) 2 } 4+ core. Ac magnetic susceptibility measurements in zero dc field for 3-5 do not show frequency dependent out-of-phase signals; this experimental fact is discussed and rationalized for complex 4 in terms of the magnetic anisotropy axis for each Dy III center and the oblate electron density of the metal ion.

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Section: Introductionmentioning

confidence: 99%

Using the Singly Deprotonated Triethanolamine to Prepare Dinuclear Lanthanide(III) Complexes: Synthesis, Structural Characterization and Magnetic Studies

et al. 2017

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“…Indeed, SMMs can pave the way towards a new generation of materials as, for example, molecular qubits for quantum computing [4], memory storage devices [5] or spin valves [6]. In this framework, lanthanide ions are commonly exploited in the effort of reaching slower relaxation rates for the reversal of the magnetization.…”

Section: Introductionmentioning

confidence: 99%

Slow Magnetic Relaxation in Chiral Helicene-Based Coordination Complex of Dysprosium

et al. 2016

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Abstract:The complex [Dy(L)(tta) 3 ] with L the chiral 3-(2-pyridyl)-4-aza[6]-helicene ligand (tta − = 2-thenoyltrifluoroaacetonate) has been synthesized in its racemic form and structurally and magnetically characterized. [Dy(L)(tta) 3 ] behaves as a single molecule magnet in its crystalline phase with the opening of a hysteresis loop at 0.50 K. These magnetic properties were interpreted with ab initio calculations.

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“…In contrast, the attempts of using lanthanide-based SIMs as spin qubits have just begun [8,9,68,69]. Examples we will discuss include some lanthanide polyoxometalates [70][71][72][73], the famous TbPc 2 [39,40,74,75] and one Yb complex [76], see also Table 4. …”

Section: Single-ion Magnetic Molecules With Single 4f Spinsmentioning

confidence: 99%

“…For Yb(III) ions, the ground state is a Kramers doublet with J = 7/2, which can be approximated as an effective spin-1/2 system at low temperatures [76]. Its isotopes include I = 1/2 ( 171 Yb), I = 5/2 ( 173 Yb) and 0 for the others.…”

Section: Yb(iii) Based Spin Qubitsmentioning

confidence: 99%

“…Its isotopes include I = 1/2 ( 171 Yb), I = 5/2 ( 173 Yb) and 0 for the others. To detect the quantum coherence of Yb(trensal) 28 (H 3 trensal = 2,2 ,2"-tris(salicylideneimino)triethylamine), sample of 7% 28 in diamagnetic Lu(trensal) was prepared for EPR measurements (Figure 15a) [76]. Fitting the echo-detected field-swept (EDFS) X-band pulsed EPR spectrum gave both spin-lattice relaxation times T 1 and quantum coherence times T 2 (Figure 15c).…”

Section: Yb(iii) Based Spin Qubitsmentioning

confidence: 99%

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The Rise of Single-Ion Magnets as Spin Qubits

2016

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Recent studies revealed that magnetic molecules with single spin centers showed exciting phenomena related to quantum information processing, such as long quantum coherence times and Rabi oscillations. In this review, we go over these phenomena according to the essential metal ions, from which we can see the development of single-ion magnets as spin qubits is booming, especially quantum coherence times have been significantly enhanced from nanoseconds to hundreds of microseconds in a short period. Hence, the correlations between the molecular structures and quantum coherence are becoming clearer. In this regard, some chemical approaches to designing better spin qubits have been discussed.

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Toward Molecular 4f Single-Ion Magnet Qubits

Cited by 232 publications

References 54 publications

Using the Singly Deprotonated Triethanolamine to Prepare Dinuclear Lanthanide(III) Complexes: Synthesis, Structural Characterization and Magnetic Studies

Using the Singly Deprotonated Triethanolamine to Prepare Dinuclear Lanthanide(III) Complexes: Synthesis, Structural Characterization and Magnetic Studies

Slow Magnetic Relaxation in Chiral Helicene-Based Coordination Complex of Dysprosium

The Rise of Single-Ion Magnets as Spin Qubits

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