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. 2010 Jun 21;107(27):12068–12073. doi: 10.1073/pnas.0914885107

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Fig. 1. — Absolute experimental THz absorption spectra, , for H₂O (blue) and D₂O (green) at 20 °C from Fourier transform spectroscopy compared to the AIMD H₂O spectrum (red) obtained from Eq. 1; thick red line shows smoothened AIMD data to guide the eye. In the upper inset the full AIMD IR spectrum, , is compared to the standard experimental H₂O data (23). For mixtures of light and heavy water with increasing mole fraction of heavy water, x(D₂O), the change in absorbance with respect to pure H₂O, , is shown in the lower inset at 20 °C; The difference of the integrated THz absorption coefficient between 2.1 and 2.8 THz (centered at 2.4 THz) was measured as a function of D₂O fraction (see Methods). ≈80 cm^-1.

Inline graphic — Absolute experimental THz absorption spectra, , for H₂O (blue) and D₂O (green) at 20 °C from Fourier transform spectroscopy compared to the AIMD H₂O spectrum (red) obtained from Eq. 1; thick red line shows smoothened AIMD data to guide the eye. In the upper inset the full AIMD IR spectrum, , is compared to the standard experimental H₂O data (23). For mixtures of light and heavy water with increasing mole fraction of heavy water, x(D₂O), the change in absorbance with respect to pure H₂O, , is shown in the lower inset at 20 °C; The difference of the integrated THz absorption coefficient between 2.1 and 2.8 THz (centered at 2.4 THz) was measured as a function of D₂O fraction (see Methods). ≈80 cm^-1.