Hyperfine Spectroscopy: ESEEM

Doorslaer, Sabine Van

doi:10.1002/9780470034590.emrstm1517

Cited by 39 publications

(46 citation statements)

References 42 publications

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“…The other sets of off‐diagonal cross‐peaks are found in the (−,+) quadrant centered at A/2 and separated by approximately 2ν Ο , as expected in the strong‐coupling limit . Due to the large isotropic hfi , the nuclear quadrupole interaction (computed to be of the order of e 2 qQ / h =4.5 MHz, Table S1, Supporting Information) does not have a significant influence on the spectrum (Supporting Information Section S4.2).…”

Section: Figuresupporting

confidence: 51%

Nature and Topology of Metal–Oxygen Binding Sites in Zeolite Materials:¹⁷O High‐Resolution EPR Spectroscopy of Metal‐Loaded ZSM‐5

et al. 2019

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Determining structural models is pivotal to the rational understanding and development of heterogeneous catalytic systems. A paradigmatic case is represented by open‐shell metals supported on oxides, where the catalytic properties crucially depend on the nature of the metal–oxygen bonds and the extent of charge and spin transfer. Through a combination of selective 17O isotopic enrichment and the unique properties of open‐shell s‐state monovalent Group 12 cations, we derive a site‐specific topological description of active sites in an MFI zeolite. We show that just a few selected sites out of all possible are populated and that the relative occupancies depend on the specific properties of the metal, and we provide maps of charge and spin transfer at the metal–oxygen interface. This approach is not restricted to zeotype materials, rather it is applicable to any catalysts supported on oxygen‐containing materials.

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Section: Figuresupporting

confidence: 51%

Nature and Topology of Metal–Oxygen Binding Sites in Zeolite Materials:¹⁷O High‐Resolution EPR Spectroscopy of Metal‐Loaded ZSM‐5

et al. 2019

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“…The spins of unpaired electrons in organic radicals and metal ions are extensively used in pulse electron paramagnetic resonance (EPR) spectroscopy to probe the structure and dynamics of the nanoenvironment around the electrons. − Molecule-based unpaired electrons are also investigated as potential building blocks for devices useful to quantum information science (QIS). − In this context, they are often termed “molecular spin qubits”. In both cases, a key limitation is the fact that excited electron spins lose coherence over time.…”

mentioning

confidence: 99%

Quantitative Structure-Based Prediction of Electron Spin Decoherence in Organic Radicals

Canarie

Jahn

Stoll

2020

J. Phys. Chem. Lett.

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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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“…Results were compared in MeOH as well as in multilamellar vesicles (MLVs, POPC and D31-POPC). CW-EPR and electron spin-echo envelope modulation (ESEEM) (Rowan et al 1965;Van Doorslaer 2018) were used to verify the peptides' incorporation into the lipid bilayer. Room-temperature CW-EPR spectra in lipids exhibited typical broadening of the nitroxide lines, consistent with an almost uniaxial mobility of the label.…”

Section: Topp Vs Mtssl On Walp24 In Lipidsmentioning

confidence: 99%

Studies of transmembrane peptides by pulse dipolar spectroscopy with semi-rigid TOPP spin labels

2021

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Electron paramagnetic resonance (EPR)-based pulsed dipolar spectroscopy measures the dipolar interaction between paramagnetic centers that are separated by distances in the range of about 1.5–10 nm. Its application to transmembrane (TM) peptides in combination with modern spin labelling techniques provides a valuable tool to study peptide-to-lipid interactions at a molecular level, which permits access to key parameters characterizing the structural adaptation of model peptides incorporated in natural membranes. In this mini-review, we summarize our approach for distance and orientation measurements in lipid environment using novel semi-rigid TOPP [4-(3,3,5,5-tetramethyl-2,6-dioxo-4-oxylpiperazin-1-yl)-L-phenylglycine] labels specifically designed for incorporation in TM peptides. TOPP labels can report single peak distance distributions with sub-angstrom resolution, thus offering new capabilities for a variety of TM peptide investigations, such as monitoring of various helix conformations or measuring of tilt angles in membranes. Graphical Abstract

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Hyperfine Spectroscopy: ESEEM

Cited by 39 publications

References 42 publications

Nature and Topology of Metal–Oxygen Binding Sites in Zeolite Materials:¹⁷O High‐Resolution EPR Spectroscopy of Metal‐Loaded ZSM‐5

Nature and Topology of Metal–Oxygen Binding Sites in Zeolite Materials:¹⁷O High‐Resolution EPR Spectroscopy of Metal‐Loaded ZSM‐5

Quantitative Structure-Based Prediction of Electron Spin Decoherence in Organic Radicals

Studies of transmembrane peptides by pulse dipolar spectroscopy with semi-rigid TOPP spin labels

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Hyperfine Spectroscopy: ESEEM

Cited by 39 publications

References 42 publications

Nature and Topology of Metal–Oxygen Binding Sites in Zeolite Materials:17O High‐Resolution EPR Spectroscopy of Metal‐Loaded ZSM‐5

Nature and Topology of Metal–Oxygen Binding Sites in Zeolite Materials:17O High‐Resolution EPR Spectroscopy of Metal‐Loaded ZSM‐5

Quantitative Structure-Based Prediction of Electron Spin Decoherence in Organic Radicals

Studies of transmembrane peptides by pulse dipolar spectroscopy with semi-rigid TOPP spin labels

Contact Info

Product

Resources

About

Nature and Topology of Metal–Oxygen Binding Sites in Zeolite Materials:¹⁷O High‐Resolution EPR Spectroscopy of Metal‐Loaded ZSM‐5

Nature and Topology of Metal–Oxygen Binding Sites in Zeolite Materials:¹⁷O High‐Resolution EPR Spectroscopy of Metal‐Loaded ZSM‐5