Dynamic interactions in hydrogen-bonded systems

✍ Scribed by Marek J. Wójcik

• Publisher: Elsevier Science
• Year: 2005
• Tongue: English
• Weight: 286 KB
• Volume: 735-736
• Category: Article
• ISSN: 0022-2860
• DOI: 10.1016/j.molstruc.2004.10.110

✦ Synopsis

A theoretical model is presented for the X-H/X-D stretching vibrations in weak and moderately strong hydrogen-bonded systems. The model is based on vibronic-type couplings between high and low frequency modes in hydrogen bridges and Davydov interactions. It allows calculation of energy and intensity distributions in the infrared spectra of hydrogen-bonded systems. The effect of deuterium/hydrogen substitution on the spectra and the temperature effect are explained. Comparison between experimental and theoretical spectra is presented for several systems with hydrogen bonds, crystalline, liquid and gaseous.