Vibrational analysis of flavone

Abstract

In this study, the experimental and theoretical study on the structures and vibrations of flavone are presented. FT-IR and FT-Raman spectra of the molecule have been recorded in the 400-4000 cm-1 region and the 5-3500 cm-1 region, respectively. The molecular geometry and vibrational frequencies of flavone in the ground state have been calculated by using Density Functional method (B3LYP) in conjunction with 6-311++G(d,p) and 6-31++G(d) as basis sets.

In this study, the experimental and theoretical study on the structures and vibrations of flavone are presented. FT-IR and FT-Raman spectra of the molecule have been recorded in the 400-4000 cm-1 region and the 5-3500 cm-1 region, respectively. The molecular geometry and vibrational frequencies of flavone in the ground state have been calculated by using Density Functional method (B3LYP) in conjunction with 6-311++G(d,p) and 6-31++G(d) as basis sets.