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Bis-Selenoureas for Anion Binding: A 1H NMR and Theoretical Study.

Giacomo PicciRita MocciGianluca CiancaleoniVito LippolisMariola Zielińska-BłajetClaudia Caltagirone
Published in: ChemPlusChem (2021)
The anion binding ability of a family of bis-selenoureas L1-L3 obtained by the reaction of 1,3-bis(aminomethyl)-benzene and phenylisoselenocyanate, p-methoxyphenylisoselenocyanate and naphtylisoselenocyanate, for L1, L2, and L3, respectively, has been tested and compared to that of previously described bis-urea analogues. Results suggest that the introduction of selenium leads to an increase in the acidity of the urea NH hydrogen atoms, and therefore to a stronger affinity (more than three-fold higher) towards anion species, in particular dihydrogen phosphate, in DMSO-d6 . Theoretical calculations allowed for the optimization of the adducts receptors corroborating the experimental results.
Keyphrases
  • ionic liquid
  • room temperature
  • magnetic resonance
  • high resolution
  • dna binding
  • molecular dynamics
  • density functional theory
  • capillary electrophoresis
  • metal organic framework