Dergiler / Turkish Journal of Physics / 2009 / Cilt: 33 - Sayı: 5
Vibrational Analysis of Flavone
- Sayfa
- 249–259
- DOI
- —
Özet
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.
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.