ArticleThe Journal of chemical physics2012
Theory for cross effect dynamic nuclear polarization under magic-angle spinning in solid state nuclear magnetic resonance: the importance of level crossings.
Article in The Journal of chemical physics, 2012. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 90 papers.
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Who cites it
90 citing papers in PubMed.
- High-frequency dynamic nuclear polarization in rotating solids.Science advances · 2026Review
- Targeted NMR signal enhancement of RNA by site-directed bis-nitroxide labeling.Proceedings of the National Academy of Sciences of the United States of America · 2026Article
- Targeting Cellular Lipid Rafts for Dynamic Nuclear Polarization Nuclear Magnetic Resonance.Chembiochem : a European journal of chemical biology · 2026Article
- Time-resolved solid-state nuclear magnetic resonance studies of amyloid-β oligomer formation.Methods in enzymology · 2026Review
- Isotropic Hyperfine Interactions Drive Cross-Effect Dynamic Nuclear Polarization.The journal of physical chemistry letters · 2025Article
- Dynamic nuclear polarization and chemically induced hyperpolarization: Progress, mechanisms, and opportunities.Magnetic resonance letters · 2025Review
- Systematic Evaluation of Polarizing Agents for Dynamic Nuclear Polarization Enhanced NMR.Angewandte Chemie (International ed. in English) · 2025Article
- Perspectives on the Dynamic Nuclear Polarization Mechanisms of Monoradicals: Overhauser Effect or Thermal Mixing?The journal of physical chemistry letters · 2025Review
- Indirect Detection of the Protons in and around Biradicals and their Mechanistic Role in MAS-DNP.The journal of physical chemistry letters · 2025Article
- Dynamic Nuclear Polarization with P1 Centers in Diamond.The journal of physical chemistry letters · 2024Article
- Optimization ofJournal of magnetic resonance (San Diego, Calif. : 1997) · 2024Article
- High-field pulsed EPR spectroscopy under magic angle spinning.Science advances · 2024Article
- Sorbitol-Based Glass Matrices Enable Dynamic Nuclear Polarization beyond 200 K.The journal of physical chemistry letters · 2024Article
- Characterization of dielectric properties and their impact on MAS-DNP NMR applications.Journal of magnetic resonance (San Diego, Calif. : 1997) · 2024Article
- Frequency-Chirped Magic Angle Spinning Dynamic Nuclear Polarization Combined with Electron Decoupling.The journal of physical chemistry letters · 2024Article
- Soliton Based Dynamic Nuclear Polarization: An Overhauser Effect in Cyclic Polyacetylene at High Field and Room Temperature.The journal of physical chemistry letters · 2024Article
- Role of Protons in and around Strongly Coupled Nitroxide Biradicals for Cross-Effect Dynamic Nuclear Polarization.The journal of physical chemistry letters · 2024Article
- AsymPol-TEKs as efficient polarizing agents for MAS-DNP in glass matrices of non-aqueous solvents.Physical chemistry chemical physics : PCCP · 2024Article
- Multi Electron Spin Cluster Enabled Dynamic Nuclear Polarization with Sulfonated BDPA.The journal of physical chemistry letters · 2023Article
- Frequency-swept dynamic nuclear polarization.Journal of magnetic resonance (San Diego, Calif. : 1997) · 2023Article
30 more citing papers are in PubMed but not listed here.
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2 authors.
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Abstract
We present theoretical calculations of dynamic nuclear polarization (DNP) due to the cross effect in nuclear magnetic resonance under magic-angle spinning (MAS). Using a three-spin model (two electrons and one nucleus), cross effect DNP with MAS for electron spins with a large g-anisotropy can be seen as a series of spin transitions at avoided crossings of the energy levels, with varying degrees of adiabaticity. If the electron spin-lattice relaxation time T(1e) is large relative to the MAS rotation period, the cross effect can happen as two separate events: (i) partial saturation of one electron spin by the applied microwaves as one electron spin resonance (ESR) frequency crosses the microwave frequency and (ii) flip of all three spins, when the difference of the two ESR frequencies crosses the nuclear frequency, which transfers polarization to the nuclear spin if the two electron spins have different polarizations. In addition, adiabatic level crossings at which the two ESR frequencies become equal serve to maintain non-uniform saturation across the ESR line. We present analytical results based on the Landau-Zener theory of adiabatic transitions, as well as numerical quantum mechanical calculations for the evolution of the time-dependent three-spin system. These calculations provide insight into the dependence of cross effect DNP on various experimental parameters, including MAS frequency, microwave field strength, spin relaxation rates, hyperfine and electron-electron dipole coupling strengths, and the nature of the biradical dopants.
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