Journal of Radiopharmaceuticals and Molecular Probes (대한방사성의약품학회지)

Korean Society of Radiopharmaceuticals and Molecular Probes (대한방사성의약품학회)
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Theoretical study on electronic properties of deoxyfluorinating sulfur-based reagents

  • Lim, Soobin (Center for Self-assembly and Complexity, Institute for Basic Science (IBS), Pohang University of Science and Technology) ;
  • Lee, Eunsung (Center for Self-assembly and Complexity, Institute for Basic Science (IBS), Pohang University of Science and Technology)
  • Received : 2016.05.13
  • Accepted : 2016.06.01
  • Published : 2016.06.30
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Abstract

Organofluorine compounds have become increasingly important as pharmaceuticals, radiopharmaceuticals, agrochemicals, and material science. Recent advances on the efficient introduction of fluorine to organic molecules are mainly results of development of transition metal catalysts and fluorination reagents. Among the various fluorination reagents, we have been interested in developing more efficient sulfur-based deoxyfluorinating reagents. Here we report various electronic properties of five popular sulfur-based deoxyfluorinating reagents using density functional theory calculation. We believe that the theoretical study on the reagents will assist the rational design of new deoxyfluorinating reagents.

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References

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