Development of ¹⁹ F-detected 1,1-ADEQUATE for the characterization of polyfluorinated and perfluorinated compounds

Polyfluorinated and perfluorinated compounds in the environment are a growing health concern. ¹⁹ F-detected variants of commonly employed heteronuclear shift correlation experiments such as heteronuclear single quantum correlation (HSQC) and heteronuclear multiple bond correlation (HMBC) are available; ¹⁹ F-detected experiments that employ carbon-carbon homonuclear coupling, in contrast, have never been reported. Herein, we report the measurement of the ¹ J_CC and ⁿ J_CC coupling constants of a simple perfluorinated phthalonitrile and the first demonstration of a ¹⁹ F-detected 1,1-ADEQUATE experiment.