Temperature study of resonance intermolecular interaction in normal long-chain carboxylic acid crystals using IR absorption spectra

The theoretical analysis of the effect of the resonance dynamical intermolecular interaction on the spectra of intramolecular vibrations of the crystals was performed in terms of stochastic equations, taking into account mentioned mechanisms. The explicit expression for the theoretical dependence of Davydov splitting value on temperature was obtained. Computer simulation of such dependence was performed for crystalline long-chain n-carboxylic acids. Good agreement between the experimental and computer simulation results was obtained.