Isotope effects in liquid water by infrared spectroscopy. III. H2O and D2O spectra from 6000tocm−1

Abstract

The infrared spectra (IR) of pure liquid light (H(2)O) and heavy (D(2)O) water were obtained with attenuated total reflection (ATR) and transmission measurements in the mid-IR and far-IR. With these and with other values obtained from the literature, the real (n) and imaginary parts (k) of the refractive index were meticulously derived in the complete IR region from 6000 to 0 cm(-1). The reliability of the results resides in the critical comparison of our experimental data with that obtained from other laboratories and between calculated and experimental spectra, obtained by ATR and transmission techniques. The new optical properties (n and k) can now be used as standards for liquid H(2)O and D(2)O. To these we have added the water (H and D) absorption coefficients (K) that are derived from the k values. These can be used as references for spectra obtained by transmission with an absorbance intensity scale because they are almost the same.