Vibrational Analysis of Flavone

Authors : Yusuf ERDOĞDU, Ozan ÜNSALAN and Mehmet Tahir GÜLLÜOĞLU

Pages : 249-260

Doi:10.3906/vet-1307-19

View : 13 | Download : 5

Publication Date : 0000-00-00

Article Type : Research Paper

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 insert ignore into journalissuearticles values(B3LYP); in conjunction with 6-311++Ginsert ignore into journalissuearticles values(d,p); and 6-31++Ginsert ignore into journalissuearticles values(d); as basis sets.
Keywords : Infrared spectra, Raman Spectra, Hartree Fock, Density functional theory, Flavone