A theory of dynamic nuclear polarisation (DNP) by thermal mixing is suggested based on purely quantum considerations. A minimal 6-level microscopic model is developed to test the theory and link it to the well-known thermodynamic model. Optimal conditions for the nuclear polarization enhancement and effects of inhomogeneous broadening of the electron resonance are discussed. Macroscopic simulations of nuclear polarization spectra displaying good agreement with experiments, involving BDPA and trityl free radicals, are presented.
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Oxygen-17 dynamic nuclear polarisation enhanced solid-state NMR spectroscopy at 18.8 T #DNPNMR
From The DNP-NMR Blog:
Oxygen-17 dynamic nuclear polarisation enhanced solid-state NMR spectroscopy at 18.8 T #DNPNMR
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Brownbill, N.J., et al., Oxygen-17 dynamic nuclear polarisation enhanced solid-state NMR spectroscopy at 18.8 T. Chem Commun (Camb), 2017. 53(17): p. 2563-2566.
https://www.ncbi.nlm.nih.gov/pubmed/28184389
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06-10-2017 05:21 PM
Dynamic nuclear polarisation via the integrated solid effect II: experiments on naphthalene-h8doped with pentacene-d14 #DNPNMR
From The DNP-NMR Blog:
Dynamic nuclear polarisation via the integrated solid effect II: experiments on naphthalene-h8doped with pentacene-d14 #DNPNMR
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Eichhorn, T.R., et al., Dynamic nuclear polarisation via the integrated solid effect II: experiments on naphthalene-h8doped with pentacene-d14. Mol. Phys., 2013. 112(13): p. 1773-1782.
https://doi.org/10.1080/00268976.2013.863405
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02-01-2017 04:20 PM
Dynamic nuclear polarisation via the integrated solid effect I: theory #DNPNMR
From The DNP-NMR Blog:
Dynamic nuclear polarisation via the integrated solid effect I: theory #DNPNMR
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Henstra, A. and W.T. Wenckebach, Dynamic nuclear polarisation via the integrated solid effect I: theory. Mol. Phys., 2013. 112(13): p. 1761-1772.
https://doi.org/10.1080/00268976.2013.861936
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01-16-2017 06:09 PM
Correction: Theory of solid effect and cross effect dynamic nuclear polarization with half-integer high-spin metal polarizing agents in rotating solids #DNPNMR
From The DNP-NMR Blog:
Correction: Theory of solid effect and cross effect dynamic nuclear polarization with half-integer high-spin metal polarizing agents in rotating solids #DNPNMR
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Corzilius, B., Correction: Theory of solid effect and cross effect dynamic nuclear polarization with half-integer high-spin metal polarizing agents in rotating solids. Phys. Chem. Chem. Phys., 2016. 18(42): p. 29643-29643.
http://dx.doi.org/10.1039/C6CP90249A
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12-17-2016 07:18 AM
Theory of solid effect and cross effect dynamic nuclear polarization with half-integer high-spin metal polarizing agents in rotating solids #DNPNMR
From The DNP-NMR Blog:
Theory of solid effect and cross effect dynamic nuclear polarization with half-integer high-spin metal polarizing agents in rotating solids #DNPNMR
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Corzilius, B., Theory of solid effect and cross effect dynamic nuclear polarization with half-integer high-spin metal polarizing agents in rotating solids. Phys. Chem. Chem. Phys., 2016. 18(39): p. 27190-27204.
http://dx.doi.org/10.1039/C6CP04621E
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11-21-2016 11:02 PM
Low-field thermal mixing in [1-(13)C] pyruvic acid for brute-force hyperpolarization
From The DNP-NMR Blog:
Low-field thermal mixing in pyruvic acid for brute-force hyperpolarization
Peat, D.T., et al., Low-field thermal mixing in pyruvic acid for brute-force hyperpolarization. Phys Chem Chem Phys, 2016. 18(28): p. 19173-82.
http://www.ncbi.nlm.nih.gov/pubmed/27362505
The role of the glassy dynamics and thermal mixing in the dynamic nuclear polarization and relaxation mechanisms of pyruvic acid
From The DNP-NMR Blog:
The role of the glassy dynamics and thermal mixing in the dynamic nuclear polarization and relaxation mechanisms of pyruvic acid
Filibian, M., et al., The role of the glassy dynamics and thermal mixing in the dynamic nuclear polarization and relaxation mechanisms of pyruvic acid. Phys Chem Chem Phys, 2014. 16(48): p. 27025-36.
http://www.ncbi.nlm.nih.gov/pubmed/25382595
Dynamic nuclear polarisation by thermal mixing: quantum theory and macroscopic simulations #DNPNMR
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