Add time:08/22/2019         Source:sciencedirect.com

The dimerisation of Tribromoacetaldehyde (cas 115-17-3) in CCl4 and C6D12 solutions was investigated using Raman spectroscopy and different techniques of multivariate analysis. The ν(C–H) stretching vibration band in dimers was blue shifted by 14/15 cm−1, whereas the ν(CO) dimer band was red-shifted by 7/8 cm−1 in CCl4/C6D12 solutions versus their positions in monomers. The observed shifts were accompanied by a strong change in the bandwidth. The formation of dimers was confirmed by multivariate analysis of the Raman spectra of bromal recorded as a function of temperature. Structural and spectral information for (Br3CCHO)2 dimers were obtained from calculations at the B3LYP/6-311++G(3df,3pd) level.

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