On the Internal Motion of Iron Chloride Molecules

Abstract
The vibrationally averaged structures of the iron chloride molecules may considerable differ from their equilibrium structure as a consequence of low-frequency large amplitude vibrations. Mean amplitudes of vibration and perpendicular amplitude correction terms have been calculated for FeCl2 and FeCl3. Mean amplitudes of vibration have also been calculated for D2h (equilibrium structure) and C2v (vibrationally averaged structure) symmetry forms of Fe2Cl4 and Fe2Cl6-The applicability of normal coordinate analysis for high temperature systems with large amplitude motion is discussed.
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