Molecular Spectra and Conformational Structure

of 2,3-Dichlorobutane and 3,4-Dichlorohexane

Stokr J., Doskocilova D., Sykora S., Hörhold H.H., Schneider B.

Collection of Czechoslovak Chemical Communications, Vol.34, pp 1875-1890 (1969)

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Abstract

Infrared and NMR spectra of the stereoisomers of 2,3-dichloro- and 2,3-dibromobutane, and of 3,4-

dichloro- and 3,4-dibromohexane have been measured in a broad temperature range.

Conformational structure with respect to rotation around the 2,3-bond in the butanes, and the 3,4-

bond in the hexanes has been determined in the solid and liquid state, and compared with the results

of semiempirical conformer energy calculations.

Keywords: PVC models, NMR, IR, Stereo conformations, Molecular dynamics, Dichlorobutane,

Dichlorohexane