Correlation of Infrared Stretching Frequencies and Hydrogen Bond Distances in Crystals

@article{Pimentel1956CorrelationOI,
  title={Correlation of Infrared Stretching Frequencies and Hydrogen Bond Distances in Crystals},
  author={G. Pimentel and C. H. Sederholm},
  journal={Journal of Chemical Physics},
  year={1956},
  volume={24},
  pages={639-641}
}
  • G. Pimentel, C. H. Sederholm
  • Published 1956
  • Chemistry
  • Journal of Chemical Physics
  • Empirical correlations between X–H≡Y distance R and frequency shift of the X–H stretching motion Δv are presented for O–H≡O, N–H≡O, and N–H≡N hydrogen bonds. A linear correlation is possible provided a distinct straight line is assumed for each hydrogen bond type. The equations of the best straight lines and standard deviations are: O−H···O  Δν(cm−1)=4.43·103(2.84−R) σ(Δν)=199cm−1N−H···O  Δν(cm−1)=0.548·103(3.21−R)σ(Δν)=24cm−1N−H···N  Δν(cm−1)=1.05·103(3.38−R)      ? 
    192 Citations
    Stretching force constants as descriptors of energy and geometry of F···HF hydrogen bonds.

    References