Vibrational and conformational analysis of 1-BROMO-3,3-DIMETHYLBUTANE (cas 1647-23-0) and 1-chloro-3,3-dimethylbutane

Add time:08/06/2019    Source:sciencedirect.com

Infrared and Raman spectra were obtained for 1-BROMO-3,3-DIMETHYLBUTANE (cas 1647-23-0) and 1-chloro-3,3-dimethylbutane. Each compound exists as two stable conformations. Vibrational assignments were made for both conformers of each compound with the aid of normal coordinate calculations. Molecular mechanics calculations were made for both conformers of each compound, and semi-empirical molecular orbital calculations were made for the chloro compound. Calculated geometrical parameters are given in this paper.

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