Molecular Structure and Vibrational Spectra of 2-Ethylhexyl Acrylate by Density Functional Theory Calculations
Figure 2
Comparison of the experimental IR (a) CH stretching region (3200–2800 cm−1) with the appropriate theoretical DFT//B3LYP/6-311+G** spectra ((b) and (c)) for s-cis and s-trans 2-ethylhexyl acrylate, respectively.