Premium
Simultaneous determination of the magnitude and the sign of multiple heteronuclear coupling constants in 19 F or 31 P‐containing compounds
Author(s) -
Saurí Josep,
Nolis Pau,
Parella Teodor
Publication year - 2015
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.4239
Subject(s) - heteronuclear molecule , chemistry , coupling constant , multiplet , sign (mathematics) , analytical chemistry (journal) , coupling (piping) , nuclear magnetic resonance , magnitude (astronomy) , molecular physics , spectral line , nuclear magnetic resonance spectroscopy , stereochemistry , physics , chromatography , quantum mechanics , mechanical engineering , mathematical analysis , mathematics , astronomy , engineering
The presence of a highly abundant passive nucleus (Z = 19 F or 31 P) allows the simultaneous determination of the magnitude and the sign of up to three different heteronuclear coupling constants from each individual cross‐peak observed in a 2D 1 H‐X selHSQMBC spectrum. Whereas J (HZ) and J (XZ) coupling constants are measured from E.COSY multiplet patterns, J (XH) is independently extracted from the complementary IPAP pattern generated along the detected F2 dimension. The incorporation of an extended TOCSY transfer allows the extraction of a complete set of all these heteronuclear coupling constants and their signs for an entire 1 H subspin system. 1 H‐X/ 1 H‐Y time‐shared versions are also proposed for the simultaneous measurement of five different couplings ( J (XH), J (YH), J (XZ), J (YZ), and J (ZH)) for multiple signals in a single NMR experiment. Copyright © 2015 John Wiley & Sons, Ltd.