Accurate measurement of long range proton–carbon scalar coupling constants. Issue 4 (16th January 2017)

• Record Type: Journal Article
• Authors: Dickson, Claire L.; Blundell, Charles D.; Butts, Craig P.; Felton, Alice; Jeffreys, Alex; Takacs, Zoltan
• Is Part Of: Analyst. Volume 142:Issue 4(2017)
• Page Start: 621
• Page End: 633
• Publication Date: 2017-01-16
• Subjects: Chemistry, Analytic -- Periodicals; 543
• DOI: 10.1039/c6an02298g
• Languages: English
• ISSNs: 0003-2654

Abstract

Abstract : The accuracy and ease-of-use of various experimental NMR methods for measuring n J CH values is assessed. Abstract : The accuracy and practicality of measuring heteronuclear scalar coupling constants, n J CH, from modern NMR experimental methods is examined, based on F1 or F2 evolution of n J CH in HSQMBC (including EXSIDE) and HMBC experiments. The results from these methods are compared to both robust experimental data (derived from coupled 13 C 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.