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Isotropic/Anisotropic NMR Editing by Resolution‐Enhanced NMR Spectroscopy
Author(s) -
Marcó Núria,
Gil Roberto R.,
Parella Teodor
Publication year - 2018
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.201800094
Subject(s) - heteronuclear molecule , isotropy , anisotropy , chemistry , coupling constant , nuclear magnetic resonance spectroscopy , spectroscopy , residual dipolar coupling , spectral line , resolution (logic) , chemical shift , molecule , residual , nuclear magnetic resonance , two dimensional nuclear magnetic resonance spectroscopy , molecular physics , stereochemistry , physics , optics , organic chemistry , particle physics , quantum mechanics , astronomy , artificial intelligence , computer science , algorithm
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 iso–aniso ( 1 H), Δδ iso–aniso ( 13 C) and/or isotropic 1 J CH and anisotropic 1 T CH coupling constants (and consequently 1 H‐ 13 C residual dipolar couplings and 1 H/ 13 C residual chemical shift anisotropies) can be performed from spectral‐aliased heteronuclear single‐quantum correlation spectra.