Intrachain Force Field and Normal Vibrations of Polyethylene Glycol

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Abstract
Normal vibrations of polyethylene glycol and the perdeuterated species were treated. Intrachain force field was expressed in terms of local-symmetry coordinates. Force constants were adjusted by the method of least squares, with reference to observed infrared and Raman frequencies. A set of force constants was obtained, which reproduces the observed frequencies with an r. m. s. deviation of 0.9%. The values of the force constants thus refined were discussed in comparison with corresponding values of related molecules. Vibrational assignments of the observed infrared absorption bands and Raman lines were revised on the basis of potential-energy distributions refined in the present treatment.

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