N-H...F hydrogen bonds in fluorinated benzanilides: NMR and DFT study.

  title={N-H...F hydrogen bonds in fluorinated benzanilides: NMR and DFT study.},
  author={G N Manjunatha Reddy and M. V. Vasantha Kumar and Tayur N Guru Row and N Suryaprakash},
  journal={Physical chemistry chemical physics : PCCP},
  volume={12 40},
Using (19)F and (1)H-NMR (with (14)N decoupling) spectroscopic techniques together with density functional theoretical (DFT) calculations, we have investigated weak molecular interactions in isomeric fluorinated benzanilides. Simultaneous presence of through space nuclear spin-spin couplings ((1h)J(N-HF)) of diverse strengths and feeble structural fluctuations are detected as a function of site specific substitution of fluorine atoms within the basic identical molecular framework. The transfer… CONTINUE READING


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