The DOI matches its Crossref record; 22 of the 22 references it cites were found in a registry or an index.
Theory for cross effect dynamic nuclear polarization under magic-angle spinning in solid state nuclear magnetic resonance: The importance of level crossings
Open accessAbstract
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 T1e 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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Cites
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Polarization of Nuclei in Metals
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Dynamic nuclear polarization at high magnetic fields
Maly, T., Debelouchina, G. T., Bajaj, V. S., Hu, K.-N., Joo, C.-G., Mak–Jurkauskas, M. L., Sirigiri, J. R., van der Wel, P. C. A., Herzfeld, J., Temkin, R. J., et al. (2008) · The Journal of Chemical Physics · doi:10.1063/1.2833582 · Cited by 919
TOTAPOL: A Biradical Polarizing Agent for Dynamic Nuclear Polarization Experiments in Aqueous Media
Song, C., Hu, K.-N., Joo, C.-G., Swager, T. M., & Griffin, R. G. (2006) · Journal of the American Chemical Society · doi:10.1021/ja061284b · Cited by 550
Solid-state dynamic nuclear polarization at 263 GHz: spectrometer design and experimental results
Rosay, M., Tometich, L., Pawsey, S., Bader, R., Schauwecker, R., Blank, M., Borchard, P. M., Cauffman, S. R., Felch, K. L., Weber, R. T., et al. (2010) · Physical Chemistry Chemical Physics · doi:10.1039/c003685b · Cited by 370
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Solid‐State NMR Spectroscopy on Cellular Preparations Enhanced by Dynamic Nuclear Polarization
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Bayro, M. J., Debelouchina, G. T., Eddy, M. T., Birkett, N. R., MacPhee, C. E., Rosay, M., Maas, W. E., Dobson, C. M., & Griffin, R. G. (2011) · Journal of the American Chemical Society · doi:10.1021/ja203756x · Cited by 184
Cited by
Dynamic nuclear polarization for sensitivity enhancement in modern solid-state NMR
Lilly Thankamony, A. S., Wittmann, J. J., Kaushik, M., & Corzilius, B. (2017) · Progress in Nuclear Magnetic Resonance Spectroscopy · doi:10.1016/j.pnmrs.2017.06.002 · Cited by 544
Highly Efficient, Water‐Soluble Polarizing Agents for Dynamic Nuclear Polarization at High Frequency
Sauvée, C., Rosay, M., Casano, G., Aussenac, F., Weber, R. T., Ouari, O., & Tordo, P. (2013) · Angewandte Chemie International Edition · doi:10.1002/anie.201304657 · Cited by 503
Molecular architecture of fungal cell walls revealed by solid-state NMR
Kang, X., Kirui, A., Muszyński, A., Widanage, M. C. D., Chen, A., Azadi, P., Wang, P., Mentink-Vigier, F., & Wang, T. (2018) · Nature Communications · doi:10.1038/s41467-018-05199-0 · Cited by 356
Mentink-Vigier, F., Marin-Montesinos, I., Jagtap, A. P., Halbritter, T., van Tol, J., Hediger, S., Lee, D., Sigurdsson, S. T., & De Paëpe, G. (2018) · Journal of the American Chemical Society · doi:10.1021/jacs.8b04911 · Cited by 171
Metadata
- Authors
- Thurber, K. R., & Tycko, R.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 2012-08-28
- Volume
- 137
- Issue
- 8
- Pages
- 084508-084508
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2084936081
- Cited by
- 263
- References
- 22
- FWCI
- 7.58
- Type
- journal article
- Language
- en
- Open access
- bronze
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