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 3,4dichloro- 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 3,4bond 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