Fermi resonance in dimers : a model study

Abstract

A theoretical model is proposed for symmetric dimers of carboxylic acids which accounts for three effects on an equal footing : (i) coupling between the high and low-frequency modes ; (ii) Davydov-type splitting of the degenerate vibrational states ; and (iii) Fermi resonance between the hydrogen-stretching fundamental and the first overtone of the hydrogen bending. These three mechanisms contribute to the infra-red spectra which have been computed for different values of an anharmonic parameter.

Additional information

Notes on contributors

Marek J. Wójcik

NRCC Research Associate 1977–78. On leave from Institute of Chemistry, Jagiellonian University, Krakow, Poland.