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Fast and simultaneous determination of 1 H– 1 H and 1 H– 19 F scalar couplings in complex spin systems: Application of PSYCHE homonuclear broadband decoupling
Author(s) -
Kakita Veera Mohana Rao,
Rachineni Kavitha,
Hosur Ramakrishna V.
Publication year - 2018
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.4635
Subject(s) - homonuclear molecule , chemistry , scalar (mathematics) , physics , atomic physics , molecule , geometry , mathematics , organic chemistry
The present manuscript focuses on fast and simultaneous determination of 1 H– 1 H and 1 H– 19 F scalar couplings in fluorinated complex steroid molecules. Incorporation of broadband PSYCHE homonuclear decoupling in the indirect dimension of zero‐quantum filtered diagonal experiments (F1‐PSYCHE‐DIAG) suppresses 1 H– 1 H scalar couplings; however, it retains 1 H– 19 F scalar couplings (along F1 dimension) for the 19 F coupled protons while preserving the pure‐shift nature for 1 H resonances uncoupled to 19 F. In such cases, along the direct dimensions, 1 H– 1 H scalar coupling multiplets deconvolute and they appear as duplicated multiplets for the 19 F coupled protons, which facilitates unambiguous discrimination of 19 F coupled 1 H chemical sites from the others. Further, as an added advantage, data acquisition has been accelerated by invoking the known ideas of spectral aliasing in the F1‐PSYCHE‐DIAG scheme and experiments demand only ~10 min of spectrometer times.