Analysis of vibratinal spectra of 8-hydr
โ
Bahgat, Khaled ;Ragheb, Abdel
๐
Article
๐
2007
๐
Walter de Gruyter GmbH
๐
English
โ 352 KB
The geometry, frequency and intensity of the vibrational bands of 8-hydroxyquinoline and its 5,7-dichloro, 5,7-dibromo, 5,7-diiodo and 5,7-dinitro derivatives were obtained by the density functional theory (DFT) calculations with Becke3-Lee-Parr (B3LYP) functional and 6-31G\* basis set. The effects