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Estimating internuclear distances between half-integer quadrupolar nuclei by central-transition double-quantum sideband NMR spectroscopy
Stockholms universitet, Naturvetenskapliga fakulteten, Institutionen för material- och miljökemi (MMK), Avdelningen för fysikalisk kemi.
2011 (engelsk)Inngår i: Canadian journal of chemistry (Print), ISSN 0008-4042, E-ISSN 1480-3291, Vol. 89, nr 7, s. 892-899Artikkel i tidsskrift (Fagfellevurdert) 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.

sted, utgiver, år, opplag, sider
2011. Vol. 89, nr 7, s. 892-899
Emneord [en]
solid-state NMR, quadrupolar nuclei, central transition, double-quantum coherence, sideband spectroscopy, distance estimation
HSV kategori
Identifikatorer
URN: urn:nbn:se:su:diva-66561DOI: 10.1139/V11-020ISI: 000295343800019OAI: oai:DiVA.org:su-66561DiVA, id: diva2:468948
Merknad
authorCount :2Tilgjengelig fra: 2011-12-22 Laget: 2011-12-20 Sist oppdatert: 2017-12-08bibliografisk kontrollert

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