Conformation analysis of 2,4-DIBROMOPENTANE (cas 19398-53-9) and 2,5-dibromohexane

Add time:08/13/2019    Source:sciencedirect.com

IR spectra for 2,4-DIBROMOPENTANE (cas 19398-53-9) and 2,5-dibromohexane in the liquid and solid states, and liquid-state Raman spectra are reported. Conformational studies have been undertaken with the aid of normal coordinate calculations. The pentane exists in approximately equal concentrations of SHHSHH (meso) and SHHSCH (dl) conformers, but a small amount of SCHSCH (meso) is also present. The hexane exists in the dl form, but the presence or absence of the meso form could not be determined. The SHHS′HH and SHHSCH conformers are abundant in the neat liquid, but the sample crystallizes in the SHHS′HH conformation (CH3 and Br on the same end of the molecule directed out of the plane of the carbon chain). The SCHSCH conformer is present in low concentration.

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