Abstract
The vibrational assignment of the internal modes of 2,2′-bipyridine is discussed using i.r. and Raman spectra in polarized light for a single crystal and for two different orientations of polycrystalline films. Predictions based on zero-order frequency calculations provide a useful guideline for the identification of the in plane fundamentals, while no satisfactory force field was available for the out-of-plane vibrations. A refined set of valence force constants was then obtained which, under the assumption of a planar stable conformation both in solution and in solid, can be used for further calculations of the whole crystal spectrum.
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More From: Spectrochimica Acta Part A: Molecular Spectroscopy
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