Vibrational analysis of flavone
Articles > Article · 2009
Authors: Yusuf Erdoǧdu, Ozan ÜNSALAN, Mehmet Tahir Güllüoǧlu
Turkish Journal of Physics, Journal Indexed in SCI Expanded, International, 2009, vol 33, pp 249-259
DOI: 10.3906/fiz-0809-8
Summary
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.