Internal Symmetry Of Basic Elements In Symmetry-Based Recoupling Sequences Under Magic-Angle Spinning

JOURNAL OF CHEMICAL PHYSICS(2010)

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摘要
In solid-state NMR, many powerful pulse sequences under the condition of magic-angle spinning can be analyzed on the basis of the C- and R-sequences developed by Levitt and co-workers. It has been speculated for some years that the basic elements commonly used in symmetry-based recoupling pulse sequences have certain kind of internal symmetries. We show by a detailed analysis that a set of internal selection rules does exist for many basic elements. These internal selection rules may allow a more versatile design of CNn nu or RNn nu sequences when n is an integer or half-integer multiple of N. As an illustration, we have derived the symmetry arguments to rationalize the observation that the C-REDOR pulse sequence can suppress homonuclear dipole-dipole interaction, leading to the design of new windowed basic elements usable for heteronuclear dipolar recoupling with active suppression of homonuclear dipole-dipole interaction. Numerical simulations and experiments measured for [U-C-13,N-15]-L-alanine have been used to validate our approach. On a more general note, the symmetry rules discussed in this work can also be applied for the design of supercycles. (C) 2010 American Institute of Physics. [doi:10.1063/1.3469766]
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关键词
dipole coupling, magic angle spinning, NMR spectroscopy, numerical analysis
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