Dataset Information

Mapping Magnetic Properties and Relaxation in Vanadium(IV) Complexes with Lanthanides by Electron Paramagnetic Resonance.

ABSTRACT: Vanadium(IV) complexes are actively studied as potential candidates for molecular spin qubits operating at room temperatures. They have longer electron spin decoherence times than many other transition ions, being the key property for applications in quantum information processing. In most cases reported to date, the molecular complexes were optimized through the design for this purpose. In this work, we investigate the relaxation properties of vanadium(IV) ions incorporated in complexes with lanthanides using electron paramagnetic resonance (EPR). In all cases, the VO₆ moieties with no nuclear spins in the first coordination sphere are addressed. We develop and implement the approaches for facile diagnostics of relaxation characteristics in individual VO₆ moieties of such compounds. Remarkably, the estimated relaxation times are found to be close to those of other vanadium-based qubits obtained previously. In the future, a synergistic combination of qubit-friendly properties of vanadium ions with single-molecule magnetism and luminescence of lanthanides can be pursued to realize new functionalities of such materials.

SUBMITTER: Kurganskii IV

PROVIDER: S-EPMC6943608 | biostudies-literature | 2019 Dec

REPOSITORIES: biostudies-literature

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Mapping Magnetic Properties and Relaxation in Vanadium(IV) Complexes with Lanthanides by Electron Paramagnetic Resonance.

Kurganskii Ivan V IV Bazhina Evgeniya S ES Korlyukov Alexander A AA Babeshkin Konstantin A KA Efimov Nikolay N NN Kiskin Mikhail A MA Veber Sergey L SL Sidorov Alexey A AA Eremenko Igor L IL Fedin Matvey V MV

Molecules (Basel, Switzerland) 20191214 24

Vanadium(IV) complexes are actively studied as potential candidates for molecular spin qubits operating at room temperatures. They have longer electron spin decoherence times than many other transition ions, being the key property for applications in quantum information processing. In most cases reported to date, the molecular complexes were optimized through the design for this purpose. In this work, we investigate the relaxation properties of vanadium(IV) ions incorporated in complexes with la ...[more]

PMID: 31847326

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Project description:Sulphonamide adducts of three Co(II) carbonic anhydrases were investigated by e.p.r. (electron paramagnetic resonance) at helium temperatures. The highly anisotropic 9 GHz spectra exhibited only three distinct features, with g values between 6.3 and 1.5. Such spectra arise from an electronic state with effective spin S'=(1/2), indicating that the high-spin (S=3/2) ground level is split into two spin doublets differing in energy by an amount large compared with the microwave quantum, but small in relation to thermal energies at ambient temperature. This situation would occur in a tetrahedral system suffering a large rhombic distortion. Calculations based on this model accounted for apparent discrepancies in integrated spectral intensities, and yielded magnetic moments in good agreement with independent measurements, especially in the case of certain small Co(II) complexes resembling the enzyme adducts in their e.p.r. signals. Precise sets of g values, reflecting a particular co-ordination geometry, were found to be representative of each enzyme variant and the type of sulphonamide inhibitor, whether benzocyclic or heterocyclic. A series of substituted benzene sulphonamides bound to the same enzyme gave rise to closely similar spectra despite a wide range of pK(i) values. Thus benzocyclic and heterocyclic sulphonamides were evidently held in the active-site cleft in characteristic orientations irrespective of side chains that might considerably influence the total binding strength. Visible absorption spectra of various sulphonamide adducts at room temperature showed a similar pattern of inhibitor dependence to the e.p.r. spectra, suggesting a correspondence between the co-ordination structures in liquid and frozen solution. E.p.r. spectra of the sulphonamide complexes were remarkable not only for their range of g values, but also for their variations in line-width and spin-lattice relaxation behaviour. Addition of glycerol to the medium produced marked enhancement in resolution, owing to the creation of a more homogeneous frozen matrix. The non-uniform spin relaxation was probably a consequence of the large anisotropy in effective g tensor.

Dataset Information

Mapping Magnetic Properties and Relaxation in Vanadium(IV) Complexes with Lanthanides by Electron Paramagnetic Resonance.

Publications

Mapping Magnetic Properties and Relaxation in Vanadium(IV) Complexes with Lanthanides by Electron Paramagnetic Resonance.

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