Vibrational spectra and structure of cyclopropane-d1 and Dicyclopropyl ketone (cas 1121-37-5)

Add time:09/29/2019    Source:sciencedirect.com

Infrared spectra have been obtained for cyclopropane-d1, C3H5D(CP-d1), in the vapor phase and for dicyclopropyl ketone (C3H5)2 CO (DCPK) in the liquid state. Raman spectra of the latter compound in the liquid and solid phases have also been recorded. By comparing the experimental with the theoretical spectra of CP-d1 it has been possible to assign most of the fundamental frequencies of the molecule. Additionably, empirical spectra—structure correlations from the literature for cyclopropyl derivatives containing the COX moiety (X=halogen) have been used to investigate the conformational preference of DCPK. The experimental results confirm that the molecular configuration with the carbonyl group cis to the planes of the two rings is the predominant species in the liquid state, though evidence for a second conformer, which we tentatively identify as the cis—trans conformer, is presented.

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