Determination of absolute quadrupolar tensor orientations by double-quantum NMR on powders
2009 (English)In: Chemical Physics Letters, ISSN 0009-2614, E-ISSN 1873-4448, Vol. 470, no 4-6, 318-324 p.Article in journal (Refereed) Published
We introduce a new nuclear magnetic resonance (NMR) approach for determining electric field gradient (‘quadrupolar’) tensor orientations directly from polycrystalline powders. It involves a homonuclear 2D experiment that correlates (two-spin) double-quantum and single-quantum coherences of half-integer quadrupolar spin nuclei undergoing magic-angle-spinning. The 2D NMR spectrum is sensitive both to the relative orientations between the correlated quadrupolar tensors and to their orientations relative to the dipolar vector of the spin-pair. A novel strategy to calculate 2D spectra from multi-spin systems is used to extract the tensor orientations. We demonstrate the method by estimating the three 23Na quadrupolar tensor orientations in Na2SO3
Place, publisher, year, edition, pages
2009. Vol. 470, no 4-6, 318-324 p.
Research subject Materials Chemistry
IdentifiersURN: urn:nbn:se:su:diva-34416DOI: 10.1016/j.cplett.2009.01.061ISI: 000263791700033OAI: oai:DiVA.org:su-34416DiVA: diva2:286481