Sign-sensitive determination of heteronuclear dipolar coupling to spin-1 by selective decoupling
2012 (English)In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 137, no 23, 234902- p.Article in journal (Refereed) Published
This paper presents a theoretical and experimental study of nuclear magnetic resonance technique for sign-sensitive determination of the dipolar couplings of rare spins-1/2 to spin-1 with a strong quadrupolar interaction. The technique is based on low-power transition-selective single-quantum decoupling of spin-1 in the presence of high-power decoupling of abundant (proton) spins. Single-transition operator formalism is employed to calculate the time evolution of the density matrix in the presence of low-power irradiation of spin-1. Generally, the sign of dipolar coupling is unavailable from intrinsically symmetric shapes of dipolar-coupled spectra. Asymmetric dipolar multiplets, resulted from selective decoupling, reveal both the signs and magnitudes of the heteronuclear dipolar couplings. The approach is used to develop the experimental strategy for sign-sensitive measurements of short- and long-range heteronuclear dipolar couplings in highly ordered anisotropic samples. The technique is demonstrated for 13C-2H and 13C-14N spin pairs and for 13C- 2H2 three-spin system in liquid crystals.
Place, publisher, year, edition, pages
2012. Vol. 137, no 23, 234902- p.
liquid crystals, long-range order, nuclear magnetic resonance, quadrupole coupling, short-range order, spin systems
Chemical Sciences Physical Sciences
IdentifiersURN: urn:nbn:se:kth:diva-116657DOI: 10.1063/1.4771697ISI: 000312780300038ScopusID: 2-s2.0-84871956006OAI: oai:DiVA.org:kth-116657DiVA: diva2:600023
FunderSwedish Research Council
QC 201301232013-01-232013-01-222015-02-25Bibliographically approved