Effective dipolar couplings determined by dipolar dephasing of double-quantum coherences

Journal of Magnetic Resonance
Jörn Schmedt auf der Günne

Abstract

It is shown how homonuclear distances and homonuclear dipolar lattice sums between spin-1/2 nuclei can be measured by a pulsed solid-state NMR experiment under magic-angle spinning conditions. The presented technique is based on double-quantum coherence filtering. Instead of measuring a build-up of double-quantum coherence the pulse sequence is designed to dephase double-quantum coherence. This is achieved by exciting double-quantum coherence either with the help of the through-space dipolar coupling or the through-bond dipolar coupling while the dephasing relies on the through-space dipolar coupling as selected by a gamma-encoded pulse sequence from the C/R symmetry class. Since dephasing curves can be normalized on zero dephasing, it is possible to analyze the initial dephasing regime and hence determine dipolar lattice sums (effective dipolar couplings) in multiple-spin systems. A formula for the effective dipolar coupling is derived theoretically and validated by numerical calculations and experiments on crystalline model compounds for (13)C and (31)P spin systems. The double-quantum dephasing experiment can be combined with constant-time data sampling to compensate for relaxation effects, consequently only two experimental...Continue Reading

References

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Oct 22, 2003·Journal of Magnetic Resonance·Jörn Schmedt auf der Günne
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Dec 17, 2003·Journal of Magnetic Resonance·Lars SonnenbergMarc Baldus
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May 12, 2005·Chemistry : a European Journal·Jörn Schmedt auf der GünnePetra Krieger-Beck
Sep 20, 2005·Journal of Magnetic Resonance·Ildefonso Marin-MontesinosMalcolm H Levitt

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Citations

Feb 13, 2008·The Journal of Chemical Physics·Malcolm H Levitt
Nov 13, 2012·Solid State Nuclear Magnetic Resonance·Vinicius Ribeiro CelinskiJörn Schmedt Auf der Günne
Mar 27, 2012·Solid State Nuclear Magnetic Resonance·Johannes WeberJörn Schmedt auf der Günne
Oct 27, 2015·Solid State Nuclear Magnetic Resonance·Jinjun Ren, Hellmut Eckert
Jun 12, 2013·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Kay Saalwächter
Jul 11, 2006·The Journal of Chemical Physics·Per Eugen KristiansenMalcolm H Levitt
Sep 3, 2020·The Journal of Chemical Physics·Lokeswara Rao PotnuruVipin Agarwal

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