Infrared and Raman line shapes for ice Ih. I. Dilute HOD in H(2)O and D(2)O.

@article{Li2010InfraredAR,
  title={Infrared and Raman line shapes for ice Ih. I. Dilute HOD in H(2)O and D(2)O.},
  author={F. Li and J. L. Skinner},
  journal={The Journal of chemical physics},
  year={2010},
  volume={132 20},
  pages={
          204505
        }
}
  • F. Li, J. L. Skinner
  • Published 2010
  • Chemistry, Medicine
  • The Journal of chemical physics
  • Vibrational spectroscopy of ice Ih provides information about structure, dynamics, and vibrational coupling in this important substance. Vibrational spectra are simplified for HOD in either H(2)O or D(2)O, as in these instances the OD or OH stretch, respectively, functions as a local chromophore. As a first step in providing a theoretical treatment of the vibrational spectroscopy for the fully coupled system (H(2)O or D(2)O), herein we calculate the infrared and Raman spectra for the… CONTINUE READING
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    References

    SHOWING 1-10 OF 111 REFERENCES
    IR and Raman spectra of liquid water: theory and interpretation.
    • 312
    Hydrogen bonding and Raman, IR, and 2D-IR spectroscopy of dilute HOD in liquid D2O
    • 224
    • PDF
    Vibrational sum-frequency spectroscopy of the liquid/vapor interface for dilute HOD in D(2)O.
    • 81