Add time:08/15/2019         Source:sciencedirect.com

IR and Raman spectra of Ethyl chloroacetate (cas 105-39-5) and three deuterated analogues, CH2ClCOOC2H5, CD2ClCOOC2H5, CH2ClCOOC2D5 and CD2ClCOOC2D5, in the liquid and crystalline states have been recorded in the 3500-100 cm−1 region. These spectra are analysed on the basis of spectral comparison both among themselves and with spectra of related esters previously studied. Band pairs observed in the liquid-state spectra are classified into two groups, one appearing at positions similar to those for ethyl non-chloro- and trichloroacetates and the other at positions similar to those for the methyl chloroacetate. These groups of band pairs are interpreted as being associated with the trans and gauche conformations around the COCX2CX3 axis (X  H or D), and the conformations around the ClCCO axis, respectively. The skeletal molecular conformation of ethyl chloroacetate in the crystalline state is suggested to be trans-trans around the ClCCOC2H5 axes. Normal coordinate calculations for the four isotopic species have been carried out on the five isomeric models using an MVIB program. The results satisfactorily explain the observed wave-number shifts on deuteration and the nature and separation of the band pairs.

We also recommend Trading Suppliers and Manufacturers of Ethyl chloroacetate (cas 105-39-5). Pls Click Website Link as below: cas 105-39-5 suppliers