Spectroscopy of H-bonds in acetic acid crystals at 10K

Abstract
As most quantitative information on H-bonds originates from studies on vs bands (O-H ... O), we describe the shapes of these specific bands at 10 K in the acetic acid crystal CH3COOH and in the isotopic analogs CD3COOH, CH3COOD and CD3COOD. From a comparison of the integrated transition probabilities, centres of gravity and variances of the bands of these four isotopic species, we can deduce that these vs modes show, besides their fundamental anharmonic couplings with vσ (O-H ... O) and some resonant couplings, a strong anharmonicity in νs, indicating an important amplitude vibration. A complete theoretical description of the shape of these bands will require further experimental results