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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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Publication details

The article was received on 14 Oct 2016, accepted on 03 Jan 2017 and first published on 03 Jan 2017


Article type: Paper
DOI: 10.1039/C6AN02298G
Citation: Analyst, 2017,142, 621-633
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    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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