Vibrational Analysis of Flavone

Authors

YUSUF ERDOĞDU
OZAN ÜNSALAN
M. TAHİR GÜLLÜOĞLU

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.

DOI

10.3906/fiz-0809-8

Keywords

Infrared spectra, Raman Spectra, Hartree-Fock, Density functional theory, Flavone

First Page

249

Last Page

260

Recommended Citation

ERDOĞDU, YUSUF; ÜNSALAN, OZAN; and GÜLLÜOĞLU, M. TAHİR (2009) "Vibrational Analysis of Flavone," Turkish Journal of Physics: Vol. 33: No. 5, Article 2. https://doi.org/10.3906/fiz-0809-8
Available at: https://journals.tubitak.gov.tr/physics/vol33/iss5/2