Molecular Structure and Vibrational Spectra of 2-Ethylhexyl Acrylate by Density Functional Theory Calculations
Figure 3
Comparison of the experimental IR (a) C=O and C=C stretching and CH bending region (1800–1200 cm−1) with the appropriate theoretical B3LYP/6-311+G** spectra ((b) and (c)) for s-cis and s-trans 2-ethylhexyl acrylate, respectively.
