Abstract
From analyses of i.r. spectra of the title compound, CH 2C(CH 3)CH 2Br, it was shown that the molecular system behaves at room temperature as a mixture of three rotational isomers in very different proportions, with a clear predominance of the apparently less polar form in all phases. The energy difference between two of these rotamers in the liquid phase was estimated to be 0.35 kcal/mol under experimental conditions where the concentration of the third form was negligibly small. A normal coordinate analysis was carried out, assuming the molecules in their most symmetrical configuration (point group C S ), and the calculated frequencies were used as a guide in assigning the observed fundamental bands.
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More From: Spectrochimica Acta Part A: Molecular Spectroscopy
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