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Optica Publishing Group
  • Applied Spectroscopy
  • Vol. 45,
  • Issue 5,
  • pp. 839-848
  • (1991)

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

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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 <sup>19</sup>F 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 <i>directly</i> from the plot. The suggested experiment is easy to implement on any basic pulse NMR spectrometer with a <sup>13</sup>C/<sup>1</sup>H 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.

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