A modified Urey-Bradley force field for 2-chloropropane and its deuterated derivatives |
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Authors: | Tom Sundius |
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Affiliation: | Department of Physics, University of Helsinki, Helsinki, Finland |
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Abstract: | A modified Urey-Bradley field has been developed for 2-chloropropane by a least-squares fit of the normal frequencies of this compound and two of its deuterated derivatives. Using this force field, the normal modes of 2-chloropropane and three of its deuterated derivatives have been calculated. This work is part of a study of the applicability of the Urey-Bradley field to the vibrations of chlorine-substituted hydrocarbons. |
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