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Updated: Mar 8, 2026

Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR
Published on: December 16, 2013
Accurate measurement of long range proton-carbon scalar coupling constants
Claire L Dickson1, Charles D Blundell, Craig P Butts
1University of Bristol, School of Chemistry, Cantocks Close, Bristol, BS8 1TS, UK. craig.butts@bristol.ac.uk.
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.
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