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Analysis of Nutation Patterns in Fourier-Transform NMR of Non-Thermally Polarized Multispin Systems
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Egor A. Nasibulov
Published/Copyright:
June 10, 2013
Abstract
The complex spin order of hyperpolarized multispin systems giving rise to anomalous NMR spectral patterns that vary with the RF excitation angle is analyzed by decomposing its nutation behavior in a superposition of Fourier harmonics. The product operator formalism is applied to calculating the spectral contributions of the various mutual alignments of scalar coupled spins. Two cases are treated, namely systems exhibiting only differences in population of their spin states and systems showing in addition zero-quantum coherences between states, a situation often seen at hyperpolarization. After deriving the general solution a number of representative examples are discussed in detail. The theoretical treatment is applied to analyzing the spin order observed in a hyperpolarized two-spin system that is prepared in the singlet state by para-hydrogen induced polarization.
Published Online: 2013-6-10
Published in Print: 2013-6-1
© by Oldenbourg Wissenschaftsverlag, München, Germany
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Keywords for this article
Spin Hyperpolarization;
PHIP;
Para-Hydrogen;
Fourier-Transform NMR;
Nutation Patterns
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- Biography of Prof. Dr. Hans-Heinrich Limbach
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- Competition between Hydrogen Bonds and Lewis Acid-Base Interactions in the Equilibria between Bis(pentafluorophenyl)borinic Acid and Pyridine: Insights from NMR, Diffractometric and Computational Studies
- Energy Analysis of Competing Non-Covalent Interaction in 1:1 and 1:2 Adducts of Collidine with Benzoic Acids by Means of X-Ray Diffraction
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- Ab Initio Study of Cooperative Effects in Complexes X:HBO:Z, with X, Z=LiH, HNC, HF, HCN, HCl, ClF, and HBO: Structures, Binding Energies, and Spin-Spin Coupling Constants across Intermolecular Bonds
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