19F NMR fingerprints: identification of neutral organic compounds in a molecular container.

Title19F NMR fingerprints: identification of neutral organic compounds in a molecular container.
Publication TypeJournal Article
Year of Publication2014
AuthorsZhao, Y, Markopoulos, G, Swager, TM
JournalJournal of the American Chemical Society
Volume136
Pagination10683–10690
ISSN0002-7863
Keywordsneutral org compd identification fluorine NMR fingerprint mol container
Abstract

Improved methods for quickly identifying neutral org. compds. and differentiation of analytes with similar chem. structures are widely needed. We report a new approach to effectively \"fingerprint\" neutral org. mols. by using 19F NMR and mol. containers. The encapsulation of analytes induces characteristic up- or downfield shifts of 19F resonances that can be used as multidimensional parameters to fingerprint each analyte. The strategy can be achieved either with an array of fluorinated receptors or by incorporating multiple nonequivalent fluorine atoms in a single receptor. Spatial proximity of the analyte to the 19F is important to induce the most pronounced NMR shifts and is crucial in the differentiation of analytes with similar structures. This new scheme allows for the precise and simultaneous identification of multiple analytes in a complex mixt. [on SciFinder(R)]

DOI10.1021/ja504110f