I. Adejoro, O. Oyeneyin
Feb 1, 2013
Citations
0
Influential Citations
3
Citations
Journal
American Journal of Scientific and Industrial Research
Abstract
A novel polymeric zinc (II) complex of quinine, [chlorosulphato (2-ethenyl)-4-azabicyclo [2.2.2]oct5-ylium-(6-methoxyquinolin-4-yl) methanol zinc (II)] has been synthesized and characterized. However, theoretical studies on the geometries, thermodynamic parameters, vibrational frequencies, geometric parameters, dipole moments, and band gaps of the complex were carried out. All these properties were obtained using the AM1, PM3 and DFT methods. Comparisons were made on the calculated bond distances, bond angles, dihedral and vibrational frequencies with the experimental data and it compared favourably well.