Theory of profiles of hydrogen stretching infrared bands of hydrogen-bonded solids. Model of strong coupling between the high-frequency hydrogen stretching vibration and low-frequency phonons

✍ Scribed by Henryk Ratajczak; Anatolij M. Yaremko

• Publisher: Elsevier Science
• Year: 1995
• Tongue: English
• Weight: 388 KB
• Volume: 243
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(95)00864-z

✦ Synopsis

A theory is developed to describe a broad IR absorption which appears in the range of a high-frequency stretching vibration of the X-H group involved in the hydrogen bond in solids. The theory is based on the anharmonic coupling mechanism between the high-frequency hydrogen stretching vibration, v(XH), and low-frequency lattice phonons. The theory was constructed in the framework of the molecular exciton Davydov approach. Model calculations show that the strong anharmonic couplings between the high-frequency v(XH) and low lattice vibration frequencies generate the broadness of the v(XH) band.