ArticleThe journal of physical chemistry letters2020
Quantitative Structure-Based Prediction of Electron Spin Decoherence in Organic Radicals.
Article in The journal of physical chemistry letters, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 33 papers.
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Who cites it
33 citing papers in PubMed.
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- Direct observation and measurement of the average quantum methyl-tunneling frequency in a protein usingChemical communications (Cambridge, England) · 2026Article
- Optically addressable molecular spin qubits.MRS bulletin · 2026Review
- Quantifying the liquid-liquid transition in cold water/glycerol mixtures by intermolecular hyperfine relaxation-induced dipolar modulation enhancement (ih-RIDME).Physical chemistry chemical physics : PCCP · 2025Article
- Coherent Control over Nuclear Hyperpolarization Using an Optically Initializable Chromophore-Radical System.Journal of the American Chemical Society · 2025Article
- RIDME Spectroscopy: New Topics Beyond the Determination of Electron Spin-Spin Distances.The journal of physical chemistry letters · 2025Review
- Frequency and time domainPhysical chemistry chemical physics : PCCP · 2025Article
- Electron-spin decoherence in trityl radicals in the absence and presence of microwave irradiation.Magnetic resonance (Gottingen, Germany) · 2025Article
- Can label or protein deuteration extend the phase relaxation time of Gd(III) spin labels?Magnetic resonance (Gottingen, Germany) · 2025Article
- The contribution of methyl groups to electron spin decoherence of nitroxides in glassy matrices.The Journal of chemical physics · 2024Article
- Probing Bioinorganic Electron Spin Decoherence Mechanisms with an FeThe journal of physical chemistry. B · 2024Article
- Quantification of Distributions of Local Proton Concentrations in Heterogeneous Soft Matter and Non-Anfinsen Biomacromolecules.The journal of physical chemistry letters · 2024Article
- Exploring tunneling ESEEM beyond methyl groups in nitroxides at low temperatures.Physical chemistry chemical physics : PCCP · 2024Article
- Challenges for exploiting nanomagnet properties on surfaces.Communications chemistry · 2024Review
- Gadolinium Spin Decoherence Mechanisms at High Magnetic Fields.The journal of physical chemistry letters · 2023Article
- Quantifying methyl tunneling induced (de)coherence of nitroxides in glassyPhysical chemistry chemical physics : PCCP · 2023Article
- VdW Mediated Strong Magnetic Exchange Interactions in Chains of Hydrogen-Free Sublimable Molecular Qubits.JACS Au · 2023Article
- Long-lived electronic spin qubits in single-walled carbon nanotubes.Nature communications · 2023Article
- Quantitative analysis of sterol-modulated monomer-dimer equilibrium of the βProceedings of the National Academy of Sciences of the United States of America · 2023Article
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Authors and funding
3 authors.
Funding
Abstract
The decoherence, or dephasing, of electron spins in paramagnetic molecules limits sensitivity and resolution in electron paramagnetic resonance spectroscopy, and it represents a challenge for utilizing paramagnetic molecules as qubit units in quantum information devices. For organic radicals in dilute frozen aqueous solution at cryogenic temperatures, electron spin decoherence is driven by neighboring nuclear spins. Here, we show that this nuclear-spin-driven decoherence can be quantitatively predicted from the molecular structure and solvation geometry of the radicals. We use a fully deterministic quantum model of the electron spin and up to 2000 neighboring protons with a static spin Hamiltonian that includes nucleus-nucleus couplings. We present experiments and simulations of two nitroxide radicals and one trityl radical, which have decoherence time scales of 4-5 μs below 60 K. We show that nuclei within 12 Å of the electron spin contribute to decoherence, with the strongest impact from protons 4-8 Å away.
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