Tag Archives: RDC

Simultaneous RCSA and RDC measurement

Our Publications, ,

Marcó, Núria, Roberto R. Gil & Teodor Parella. 2018. Isotropic/Anisotropic NMR Editing by Resolution-Enhanced NMR Spectroscopy. ChemPhysChem 19(9). 1024–1029. DOI: 10.1002/cphc.201800094

Modern resolution-enhanced NMR techniques can monitor the in-situ discrimination of co-existing isotropic and anisotropic contributions of small molecules dissolved in weakly aligning PMMA/CDCl3 media. The simultaneous sign-sensitive determination of accurate Δδ(1H) and Δδ(13C) between isotropic and anisotropic signals,  and/or  1TCH and 1JCH coupling constants (and consequently 1H-13C RDCs and 1H/13C RCSAs) can be performed from spectral-aliased HSQC spectra.

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RDC measurements and application

Our Publications, Our Research, , , , , ,
joceah_v081i019.inddApplication to the structural discrimination of small molecules containing multiple stereocenters. One-Shot determination of residual dipolar couplings.
Castañar, L.; Garcia, M.; Hellemann, E.; Nolis, P.; Gil, R.; Parella, T.

 

A novel approach for the fast and efficient structural discrimination of molecules containing multiple stereochemical centers is described. A robust Jresolved HSQC experiment affording highly resolved 1JCH/1TCHsplittings along the indirect dimension and homodecoupled 1H signals in the detected dimension is proposed. The experiment enables in-situ distinction of both isotropic and anisotropic components of molecules dissolved incompressed PMMA gels, allowing a rapid and direct one-shot determination of accurate residual dipolar coupling constants from a single NMR spectrum

 

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