Change search
ReferencesLink to record
Permanent link

Direct link
Estimating internuclear distances between half-integer quadrupolar nuclei by central-transition double-quantum sideband NMR spectroscopy
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK), Physical Chemistry.
2011 (English)In: Canadian journal of chemistry (Print), ISSN 0008-4042, E-ISSN 1480-3291, Vol. 89, no 7, 892-899 p.Article in journal (Refereed) Published
Abstract [en]

We demonstrate the estimation of homonuclear dipolar couplings, and thereby internuclear distances, between half-integer spin quadrupolar nuclei by central-transition (CT) double-quantum (2Q) sideband nuclear magnetic resonance (NMR) spectroscopy. It is shown that the rotor-encoded sideband amplitudes from CT 2Q coherences in the indirect dimension of the two-dimensional NMR spectrum are sensitive probes of the magnitude of the homonuclear dipolar coupling, but are significantly less affected by other NMR parameters such as the magnitudes and orientations of the electric field gradient tensors. Experimental results of employing the R2(2)(1)R2(2)(-1) recoupling sequence to the (11)B spin pair of bis(catecholato)diboron resulted in an estimation of the internuclear B-B distance as (169.6 +/- 3) pm, i.e., with a relative uncertainty of +/- 2%, and in excellent agreement with the distance of 167.8 pm determined by single-crystal X-ray diffraction.

Place, publisher, year, edition, pages
2011. Vol. 89, no 7, 892-899 p.
Keyword [en]
solid-state NMR, quadrupolar nuclei, central transition, double-quantum coherence, sideband spectroscopy, distance estimation
National Category
Physical Chemistry
URN: urn:nbn:se:su:diva-66561DOI: 10.1139/V11-020ISI: 000295343800019OAI: diva2:468948
authorCount :2Available from: 2011-12-22 Created: 2011-12-20 Last updated: 2011-12-22Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full text

Search in DiVA

By author/editor
Edén, Mattias
By organisation
Physical Chemistry
In the same journal
Canadian journal of chemistry (Print)
Physical Chemistry

Search outside of DiVA

GoogleGoogle Scholar
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

Altmetric score

Total: 43 hits
ReferencesLink to record
Permanent link

Direct link