| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5377373 | Chemical Physics | 2006 | 8 Pages |
Abstract
We have applied a model used recently [P. Blaise, M.J. Wojcik, O. Henri-Rousseau, J. Chem. Phys. 122 (2005) 64306] to unpolarized νX-H infrared lineshapes of cyclic (CH3COOH)2 in liquid and gaseous phases and (CD3COOH)2 in gaseous phase and taking into account the IR Ag forbidden transition. This model incorporates (i) the anharmonic coupling between the high frequency mode and the H-bond bridge, (ii) the Davydov coupling between the excited states of the two moieties, (iii) the quantum direct and indirect dampings. The approach reproduces satisfactorily the main features of the experimental lineshapes by using a minimum number of independant parameters.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Mohamed El-Amine Benmalti, Paul Blaise, H.T. Flakus, Olivier Henri-Rousseau,