Concerning the origin of 19F19F NMR COSY and NOESY connections in the spectra of perfluorooctanoic acid, RF‐palmitic acid‐F13 and diethyl perfluorosuberate

A combination of 19F nuclear Overhauser effects (NOE) and molecular mechanics calculations are presented for delineating the spatial origin of the well-known four-bond 19F19F COSY connections which are generally observed in the 19F NMR spectra of compounds containing perfluorinated chains. Perfluorooctanoic acid (PFOA), RF-palmitic acid-F13 and diethyl perfluorosuberate were used as test cases. Spin–lattice relaxation times (T1) are included and NOESY correlations through three and four bonds occur. Copyright © 2005 John Wiley & Sons, Ltd.