Vibrational analysis of flavone


Erdoğdu Y., ÜNSALAN O., Güllüoğlu M.

TURKISH JOURNAL OF PHYSICS, vol.33, pp.249-159, 2009 (Scopus)

  • Publication Type: Article / Article
  • Volume: 33
  • Publication Date: 2009
  • Journal Name: TURKISH JOURNAL OF PHYSICS
  • Journal Indexes: Scopus, TR DİZİN (ULAKBİM)
  • Page Numbers: pp.249-159
  • Istanbul University Affiliated: Yes

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.