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Issue 9, 2015
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14N overtone NMR under MAS: signal enhancement using symmetry-based sequences and novel simulation strategies

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Abstract

Overtone 14N NMR spectroscopy is a promising route for the direct detection of 14N signals with good spectral resolution. Its application is currently limited, however, by the absence of efficient polarization techniques for overtone signal enhancement and the lack of efficient numerical simulation techniques to aid in both the development of new methods and the analysis and interpretation of experimental data. In this paper we report a novel method for the transfer of polarization from 1H to the 14N overtone using symmetry-based R-sequences that overcome many of the limitations of adiabatic approaches that have worked successfully on static samples. Refinement of these sequences and the analysis of the resulting spectra have been facilitated through the development of an efficient simulation strategy for 14N overtone NMR spectroscopy of spinning samples, using effective Hamiltonians on top of Floquet and Fokker–Planck equations.

Graphical abstract: 14N overtone NMR under MAS: signal enhancement using symmetry-based sequences and novel simulation strategies

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Publication details

The article was received on 05 Sep 2014, accepted on 30 Jan 2015 and first published on 30 Jan 2015


Article type: Paper
DOI: 10.1039/C4CP03994G
Citation: Phys. Chem. Chem. Phys., 2015,17, 6577-6587
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    14N overtone NMR under MAS: signal enhancement using symmetry-based sequences and novel simulation strategies

    I. M. Haies, J. A. Jarvis, H. Bentley, I. Heinmaa, I. Kuprov, P. T. F. Williamson and M. Carravetta, Phys. Chem. Chem. Phys., 2015, 17, 6577
    DOI: 10.1039/C4CP03994G

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