Proton detection of carbon-carbon couplings in symmetrical molecules: Analytical explanation, SYMONA pulse sequence

[Display omitted] •New exact analytical formulas for development of symmetrical 1H13C-1H′13C′ spin system with equivalent spins were derived.•These formulas give correct values for parameters in 2QHMBC to maximize NMR signal.•This signal contains J(13C, 13C′) coupling information for natural abundan...

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Bibliographic Details
Published in:Journal of magnetic resonance (1997) 2019-01, Vol.298, p.107-114
Main Authors: Blechta, Vratislav, Sýkora, Jan
Format: Article
Language:English
Subjects:
2QHMBC
Carbon-carbon coupling
Equivalent carbons
NMR
Proton detection
Strong coupling
SYMONA
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Summary:[Display omitted] •New exact analytical formulas for development of symmetrical 1H13C-1H′13C′ spin system with equivalent spins were derived.•These formulas give correct values for parameters in 2QHMBC to maximize NMR signal.•This signal contains J(13C, 13C′) coupling information for natural abundant samples.•New pulse sequence SYMONA was proposed and tested. The approach to the measurement of one-bond indirect spin–spin coupling constants between equivalent nuclei was revisited. The analytical formulas for development of the density matrix of strongly coupled symmetrical HC-C′H′ spin systems were derived and the optimal duration of polarization delay in the original 2QHMBC pulse sequence is discussed. Based on the analytical formulas a new version of a robust indirect detection experiment, called SYMONA (SYmmetrical MOlecules Natural Abundance double-quantum experiment), was proposed for carbon–carbon coupling constants detection in symmetrical molecules. Additionally, application of the SYMONA experiment to more complicated spin systems than isolated HC-C′H′ is discussed.
ISSN:1090-7807
1096-0856
DOI:10.1016/j.jmr.2018.12.002