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Issue 4, 2017
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Accurate measurement of long range proton–carbon scalar coupling constants

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Abstract

The accuracy and practicality of measuring heteronuclear scalar coupling constants, nJCH, from modern NMR experimental methods is examined, based on F1 or F2 evolution of nJCH in HSQMBC (including EXSIDE) and HMBC experiments. The results from these methods are compared to both robust experimental data (derived from coupled 13C spectra), computed (Density Functional Theory) and literature values where available. We report on the accuracy, ease of use and time efficiency of these multi-dimensional methods and highlight their extent and limitations.

Graphical abstract: Accurate measurement of long range proton–carbon scalar coupling constants

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Article information


Submitted
14 Oct 2016
Accepted
03 Jan 2017
First published
03 Jan 2017

Analyst, 2017,142, 621-633
Article type
Paper

Accurate measurement of long range proton–carbon scalar coupling constants

C. L. Dickson, C. D. Blundell, C. P. Butts, A. Felton, A. Jeffreys and Z. Takacs, Analyst, 2017, 142, 621
DOI: 10.1039/C6AN02298G

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