Pattern Recognition in 2D NMR Contour Maps for Studying Molecules Containing Fluorines. Part I: Study of Organofluorine Ethers

Abstract

The procedure described here is useful in the study of molecules containing fluorines, especially organofluorine ethers. It provides all the basic information about fluorines without actually performing ¹⁹F NMR. With the use of the two-dimensional NMR technique, identifying the position of fluorine in a molecule is simple and straightforward. The contour patterns in the two-dimensional NMR plot are distinctively different for many fluorinated functional groups, thereby providing a means for locating the position of fluorine(s) in the molecule without any difficulty. In addition, other relevant NMR parameters can be easily derived directly from the plot. The suggested experiment is easy to implement on any basic pulse NMR spectrometer with a ¹³C/¹H probe for the study of organofluorine compounds. Experimental, as well as theoretical, two-dimensional contour patterns for commonly occurring functional groups of organofluorine ethers are also presented.