Vibrational analysis of flavone
Makaleler > Tam Makale · 2009
Yazarlar: Yusuf Erdoǧdu, Ozan ÜNSALAN, Mehmet Tahir Güllüoǧlu
Turkish Journal of Physics, SCI Expanded İndekslerine Giren Dergi, Uluslararası, 2009, cilt 33, ss 249-259
DOI: 10.3906/fiz-0809-8
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. © TÜBİTAK.