Improved methods for quickly identifying neutral organic compounds and differentiation of analytes with similar chemical structure are widely needed. We report a new approach to effectively �fingerprint� neutral organic molecules by using 19F NMR and molecular containers. The encapsulation of analytes induces characteristic up- or downfield shifts of 19F resonances that can be used as multi-dimensional parameters to fingerprint each analyte. The strategy can be either achieved with an array of fluorinated receptors or by incorporating multiple nonequivalent fluorine atoms in a single receptor. The spatial proximity is important to induce pronounced NMR shifts and plays a crucial role in the differentiation of analyte with similar structure. This new scheme allows for an informative and interpretable output and enables a precise and simultaneous identification of multiple analytes in a complex mixture.

<sup>19</sup>F NMR fingerprints: Identification of neutral organic molecule in a molecular container

248th National Meeting (2014)

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19F NMR fingerprints: Identification of neutral organic molecule in a molecular container

¹⁹F NMR fingerprints: Identification of neutral organic molecule in a molecular container