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Pure shift NMR approach for fast and accurate extraction of heteronuclear couplings

Chaudhari, Sachin Rama and Suryaprakash, N (2014) Pure shift NMR approach for fast and accurate extraction of heteronuclear couplings. In: RSC ADVANCES, 4 (29). pp. 15018-15021.

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Official URL: http://dx.doi.org/10.1039/c4ra01436g


The direct and accurate determination of heteronuclear ((n)J(HX), X = F-19, P-31) couplings from the one dimensional H-1-NMR spectrum is severely hampered due to the simultaneous presence of large numbers of (n)J(HH). The present study demonstrates the utility of the pure shift NMR approach for spectral simplification, and precise and direct measurement of heteronuclear couplings. As a consequence of refocusing of homonuclear couplings ((n)J(HH)) by the pure shift NMR, only heteronuclear couplings ((n)J(HX)) appear as simple multiplets at the resonance position of each chemically non-equivalent proton, enabling their direct measurement from the 1D-H-1 spectrum. The experiment is demonstrated on a number of molecules containing either F-19 or P-31, where (n)J(HF) and (n)J(HP) could be precisely measured in a straightforward manner. The distinct advantage of the experiment is demonstrated on molecules containing more than one fluorine atom, where most of the available NMR experiments fail or have restricted utility.

Item Type: Journal Article
Additional Information: Copyright for this article belongs to the ROYAL SOC CHEMISTRY, ENGLAND
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Depositing User: Id for Latest eprints
Date Deposited: 10 Jun 2014 05:20
Last Modified: 10 Jun 2014 05:20
URI: http://eprints.iisc.ac.in/id/eprint/49059

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