The Effects of Temperature and H/D Isotopic Dilution on the Transmission and Attenuated Total Reflection FTIR Spectra of Water

Abstract Using a set of IR spectroscopy methods the OH- and OD-stretch region of H 2 O, D 2 O and HDO were investigated. With a combination of attenuated total reflection infrared (ATR-IR) and transmission infrared Fourier Transform spectroscopy, temperature dependent experiments were carried out. HDO experiments were done with varying isotopic concentrations. We focused on contributions at higher wavenumbers within the OH/OD-stretch region to discuss coupling effects. We also compared results from ATR and transmission spectroscopy in order to check the comparability of these techniques. In addition we tried to investigate how the overtone of the bending vibration may be included into the analysis of the OH-stretch region of pure water.