BAND ANALYSIS OF CH3OH AND CH3OD H-BOND COMPLEXES IN THE FIRST OVERTONE REGION

A band analysis of the IR spectra of CH3OH and CH3OD in 1,4-dioxane an d tetrahydrofurane in the first overtone region was performed in order to resolve the overlapping subbands. The results show a splitting of the OH and OD stretching vibrations into a band caused by the pure ove rtone vibration and a second band which can be described as a combinat ion of the overtone vibration with the 0...0 vibration of the H-bond c omplex. From the obtained frequencies of the band maxima it follows th e the anharmonicity constants of the H-bond complexes increase in comp arison to the anharmonicity constant of the OH or OD groups in the gas phase. The band splitting of the two bands is nearly unchanged by deu teration and the isotopic frequency ratio of the 0...0 band is smaller than that of the OH/OD vibrations.