Normal Coordinate Analysis of Pyridine-N-Oxide

We have been interested for some time in the study of the hydrogen bonded complexes in the far-infrared region with special attention to the adducts between phenol and pyridine-N-oxides (1). In such systems the intermolecular mode vσ was identified and some intramolecular vibrations related to the N-O group were observed to be remarkably shifted consequent on hydrogen bonding. In this context we wished to obtain a force field for the complex which could fit the observational results. Unfortunately for one of the constituents i. e. pyridine-N-oxide a force field, suitable for our purposes, was not available and therefore preliminarily we determined it. We report here the results of such analysis.