Accurate measurement of long range proton-carbon scalar coupling constants

Claire L. Dickson; Charles D. Blundell; Craig P. Butts; Alice Felton; Alex Jeffreys; Zoltan Takacs

doi:10.1039/c6an02298g

Accurate measurement of long range proton-carbon scalar coupling constants

Claire L. Dickson, Charles D. Blundell, Craig P. Butts^*, Alice Felton, Alex Jeffreys, Zoltan Takacs

^*Corresponding author for this work

Research output: Contribution to journal › Article (Academic Journal) › peer-review

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Abstract

The accuracy and practicality of measuring heteronuclear scalar coupling constants, ⁿJ_CH, from modern NMR experimental methods is examined, based on F1 or F2 evolution of ⁿJ_CH 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.

Original language	English
Pages (from-to)	621-633
Number of pages	13
Journal	Analyst
Volume	142
Issue number	4
Early online date	3 Jan 2017
DOIs	https://doi.org/10.1039/c6an02298g
Publication status	Published - 14 Feb 2017

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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.",

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AU - Dickson, Claire L.

AU - Blundell, Charles D.

AU - Butts, Craig P.

AU - Felton, Alice

AU - Jeffreys, Alex

AU - Takacs, Zoltan

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AB - 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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Accurate measurement of long range proton-carbon scalar coupling constants

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A 13C NMR Coldprobe to Underpin Chemistry Research.

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Accurate measurement of long range proton-carbon scalar coupling constants

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A 13C NMR Coldprobe to Underpin Chemistry Research.

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