title: Accurate measurement of long range proton-carbon scalar coupling constants.
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 ofnJCHin HSQMBC (including EXSIDE) and HMBC experiments. The results from these methods are compared to both robust experimental data (derived from coupled13C 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.
authors.affiliation: University of Bristol, School of Chemistry, Cantocks Close, Bristol, BS8 1TS, UK. craig.butts@bristol.ac.uk.
authors.forename: Claire L
authors.initials: CL
authors.lastname: Dickson
authors.forename: Charles D
authors.initials: CD
authors.lastname: Blundell
authors.forename: Craig P
authors.initials: CP
authors.lastname: Butts
authors.forename: Alice
authors.initials: A
authors.lastname: Felton
authors.forename: Alex
authors.initials: A
authors.lastname: Jeffreys
authors.forename: Zoltan
authors.initials: Z
authors.lastname: Takacs