Simultaneous measurement of multiple heteronuclear coupling constants

Structure Elucidation by NMR

MRC coverSimultaneous determination of the magnitude and the sign of multiple heteronuclear coupling constants in 19F or 31P-containing compounds” by Josep Saurí, Pau Nolis and Teodor Parella. Magn. Reson. Chem. 53, 2015, 427-432.
DOI: 10.1002/mrc.4239

The presence of a highly abundant passive nucleus (Z = 19 F or 31P) 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 1H-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 1H subspin system. 1H-X/1H-Y time-shared versions are also…

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