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Issue 43, 2013
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Measurement of the shortest hetero-nuclear distances in multiple-spin systems using constant-time correlation NMR methods

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Abstract

We demonstrate that the shortest hetero-nuclear distances in multiple-spin systems can be determined using Constant-Time Dipolar-mediated Hetero-nuclear Multiple-Quantum Correlation (CT-D-HMQC) two-dimensional NMR experiments. We show that this approach is applicable between two spin-1/2 isotopes, such as 13C and 15N, or between spin-1/2 and half-integer quadrupolar nuclei, such as 31P and 27Al. Furthermore, numerical simulations of spin dynamics and experiments on L-histidine·HCl and microporous aluminophosphate VPI-5 prove that the delay between zero-crossings of CT-D-HMQC trajectories is a reliable estimator of the largest dipolar couplings when the distances with the second neighbors are at least 60% larger than with the first neighbor, and there exists a known number of first neighbors at similar distances with an angle between the inter-nuclear vectors ranging from 30° to 150°.

Graphical abstract: Measurement of the shortest hetero-nuclear distances in multiple-spin systems using constant-time correlation NMR methods

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Article information


Submitted
29 Mar 2013
Accepted
25 Jun 2013
First published
25 Jun 2013

CrystEngComm, 2013,15, 8713-8726
Article type
Paper

Measurement of the shortest hetero-nuclear distances in multiple-spin systems using constant-time correlation NMR methods

X. Lu, J. Trébosc, O. Lafon and J. Amoureux, CrystEngComm, 2013, 15, 8713
DOI: 10.1039/C3CE40557E

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