Vibrational spectra and molecular conformations of 1,5-dichloro- and 1,5-Dibromopentane (cas 111-24-0)s and 1,6-dichloro-and 1,6-dibromohexanes

Add time:08/21/2019    Source:sciencedirect.com

The Raman and IR spectra of 1,5-dichloro- and 1,5-dibromopentanes and 1,6-dichloro-and 1,6-dibromohexanes have been measured. The normal coordinates have been calculated for these molecules using a consistent set of force constants and the molecular conformations studied by analysing the spectra with reference to the results of the calculations. In the crystalline solid state, 1,5-dichloropentane assumes the trans-trans-trans-gauche form and 1,5-dibromopentane, 1,6-dichloro- and 1,6-dibromohexanes assume the all-trans form. The normal coordinate treatment with the well-established force field was of great help in determining the whole molecular form of the relatively large chain molecules.

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