Organic Chemistry International / 2013 / Article / Tab 2

Research Article

Accuracy and Applicability of the New Exchange Correlation Functionals for Reproduction of the Infrared Spectra of Butyl Acrylate and Butyl Methacrylate Molecules

Table 2

Observed bands for butyl acrylate and butyl methacrylate with their assignments.

Butyl acrylateAssignment Butyl methacrylateAssignment
Observed band (cm−1)

812C1H2 out of plane bending812C1H2 out of plane bending
984C1H5 out of plane bending937C1H2 in plane bending
1066CCC deformation1019CCC deformation
1188OC stretching1161OC stretching
1279C1H2 twisting1319C1H2 twisting
1408OCC deformation1457CH2 twisting
1464CH2 twisting1638C=C stretching
1623C=C stretching1717C=O stretching
1727C=O stretching

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