Accurate measurement of long range proton-carbon scalar coupling constants

作者:Dickson Claire L; Blundell Charles D; Butts Craig P; Felton Alice; Jeffreys Alex; Takacs Zoltan
来源:Analyst, 2017, 142(4): 621-633.
DOI:10.1039/c6an02298g

摘要

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 C-13 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.

  • 出版日期2017-2-14