Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 21, Issue 11, Pages 5941-5949Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c8cp06276e
Keywords
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Funding
- Wellcome Trust
- EPSRC [EP/H003789/1, EP/M023664/1]
- University of Southampton
- Royal Society University Research Fellowship
- Higher Committee for Education Development in Iraq
- BBSRC
- University of Warwick through Birmingham Science City Advanced Materials Project 1
- University of Warwick through Birmingham Science City Advanced Materials Project 2
- Advantage West Midlands (AWM)
- European Regional Development Fund (ERDF)
- EPSRC [EP/H003789/1, EP/M023664/1] Funding Source: UKRI
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Magic-angle spinning solid-state NMR is increasingly utilized to study the naturally abundant, spin-1 nucleus N-14, providing insights into the structure and dynamics of biological and organic molecules. In particular, the characterisation of N-14 sites using indirect detection has proven useful for complex molecules, where the spy' nucleus provides enhanced sensitivity and resolution. Here we exploit the sensitivity of proton detection, to indirectly characterise N-14 sites using a moderate rf field to generate coherence between the H-1 and N-14 at moderate and fast-magic-angle spinning frequencies. Efficient numerical simulations have been developed that have allowed us to quantitatively analyse the resulting N-14 lineshapes to determine both the size and asymmetry of the quadrupolar interaction. Exploiting only naturally occurring abundant isotopes will aid the analysis of materials with the need to resort to isotope labelling, whilst providing additional insights into the structure and dynamics that the characterisation of the quadrupolar interaction affords.
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