Electronic Structure of a Mixed-Metal Fluoride-Centered Triangle Complex: A Potential Qubit Component

Walsh, James P. S.; Meadows, Sarah B.; Ghirri, Alberto; Moro, Fabrizio; Jennings, Martin D.; Smith, William F.; Graham, D. M.; Kihara, Takeshi; Nojiri, Hiroyuki; Vitórica-Yrezábal, Iñigo J.; Timco, Grigore A.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.

doi:10.1021/acs.inorgchem.5b01898

Cited by 18 publications

(17 citation statements)

References 42 publications

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“…The position of the singlet-triplet 5 crossing is consistent with the main step in the lowtemperature magnetization curves.…”

supporting

confidence: 77%

“…Indeed, linking molecular qubits with different level schemes enables the implementation of important twoqubit gates like the CNOT gate, where the possibility of separately addressing the two qubits is mandatory. 5,22,23 One issue, which has been considered elsewhere 24 is the magnitude 35 of the exchange interaction and the resulting gate time; here the interaction is too strong to be able to manipulate single qubits without manipulating both; further synthetic work will increase the length of the space between the green and purple rings. We also aim to introduce a switchable effective 40 coupling between the molecular qubits by inclusion of a redox-active group between the rings.…”

Section: Resultsmentioning

confidence: 99%

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Heterodimers of heterometallic rings

et al. 2016

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Nine new complexes are reported involving linked heterometallic rings; one ring is designed as a ligand for the second, and the 10 compounds produced can be regarded as molecular prototypes for implementing quantum gates featuring two subtly different qubits.We have been exploring the idea that heterometallic rings can be used as qubits for quantum computing, 1 complexes 4-6, the divalent site is bound to a pyridine from iso-nicotinate. The structure of 7 is shown in Figure 1; the large molecules pack inefficiently in the lattice and there are large voids in the structure which we assume are filled with solvent however these are so disordered they could not be 65 located. The family of linked cages creates the opportunity to study the exchange interaction in these iso-structural complexes. The {Cr 7 Ni} compounds 1 and 4 are the compounds regarded as possible qubits for quantum information processing as they 75 have S = 1/2 spin ground states. Therefore here we report studies of compound 7; and show by a variety of methods that there is a weak but measurable interaction between the two rings in this molecular ensemble. As the structures of 1 and 4 are essentially replicated in 7 the only new parameters 80 involved in fitting data involve the exchange interactions between the rings. Magnetic susceptibility data of 7 between 2 K and 300 K practically coincide with the sum of the susceptibilities of the two component rings ( Figure S1). However, very low-85

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“…The position of the singlet-triplet 5 crossing is consistent with the main step in the lowtemperature magnetization curves.…”

supporting

confidence: 77%

Section: Resultsmentioning

confidence: 99%

Heterodimers of heterometallic rings

et al. 2016

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“…1.8 and 2.5. 15 This gives supramolecular assemblies where we can potentially address different components by EPR spectroscopy. This has also been investigated.…”

Section: Introductionmentioning

confidence: 99%

Conformational Flexibility of Hybrid [3]- and [4]-Rotaxanes

et al. 2020

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The synthesis, structures, and properties of [4]- and [3]-rotaxane complexes are reported where [2]-rotaxanes, formed from heterometallic {Cr 7 Ni} rings, are bound to a fluoride-centered {CrNi 2 } triangle. The compounds have been characterized by single-crystal X-ray diffraction and have the formulas [CrNi 2 (F)(O 2 C t Bu) 6 ]{( B H)[Cr 7 NiF 8 (O 2 C t Bu) 16 ]} 3 ( 3 ) and [CrNi 2 (F)(O 2 C t Bu) 6 (THF)]{( B H)[Cr 7 NiF 8 (O 2 C t Bu) 16 ]} 2 ( 4 ), where B = py-CH 2 CH 2 NHCH 2 C 6 H 4 SCH 3 . The [4]-rotaxane 3 is an isosceles triangle of three [2]-rotaxanes bound to the central triangle while the [3]-rotaxane 4 contains only two [2]-rotaxanes bound to the central triangle. Studies of the behavior of 3 and 4 in solution by small-angle X-ray scattering and atomistic molecular dynamic simulations show that the structure of 3 is similar to that found in the crystal but that 4 has a different conformation to the crystal. Continuous wave and pulsed electron paramagnetic resonance spectroscopy was used to study the structures present and demonstrate that in frozen solutions (at 5 K) 4 forms more extended molecules than 3 and with a wider range of conformations.

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“…Magnetic molecules [7][8][9][10][11][12][13][14][15][16][17][18][19][20][21][22][23][24] could present some disadvantages in comparison with other quantum systems for QIP. For example, as individual units, molecular electron spin-based qubits may not have such long phase memory times [25][26][27][28][29].…”

Section: Introduction: Molecules As Qubitsmentioning

confidence: 99%

“…In a pioneering work, Leuenberger 4 ], abbreviated as {Mn 12 } [7], as electron spin-based qubits. Since then, a wide range of magnetic molecules have been synthesised, either small mono-and dinuclear complexes or large polynuclear clusters with transition metals and lanthanide ions [12,[14][15][16][17][18][19][20][21][22][23][24]. A measure of the quality of a qubit against decoherence processes is provided by the spin-spin relaxation time (T 2 ) and the phase memory time (T M ), measured through pulsed EPR spectroscopy [35].…”

Section: Introduction: Molecules As Qubitsmentioning

confidence: 99%

Cr7Ni Wheels: Supramolecular Tectons for the Physical Implementation of Quantum Information Processing

Ferrando-Soria

2016

Magnetochemistry

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Abstract:The physical implementation of quantum information processing (QIP) is an emerging field that requires finding a suitable candidate as a quantum bit (qubit), the basic unit for quantum information, which can be organised in a scalable manner to implement quantum gates (QGs) capable of performing computational tasks. Supramolecular chemistry offers a wide range of chemical tools to bring together, with great control, different molecular building blocks in order to grow supramolecular assemblies that have the potential to achieve the current milestones in the field. In this review, we are particularly interested in the latest research developments on the supramolecular chemistry approach to QIP using {Cr 7 Ni} wheels as qubits for the physical implementation of QGs. Special emphasis will be given to the unique high degree of chemical tunability of this unique class of heterobimetallic octanuclear rings, which results in an attractive playground to generate aesthetically pleasing supramolecular assemblies of increasing structural complexity and interesting physical properties for quantum computing.

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Electronic Structure of a Mixed-Metal Fluoride-Centered Triangle Complex: A Potential Qubit Component

Cited by 18 publications

References 42 publications

Heterodimers of heterometallic rings

Heterodimers of heterometallic rings

Conformational Flexibility of Hybrid [3]- and [4]-Rotaxanes

Cr7Ni Wheels: Supramolecular Tectons for the Physical Implementation of Quantum Information Processing

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