Sparfloxacin charge transfer complexes with 2,3-dichloro-5,6-dicyano-1,4-benzoquinone and tetracyanoquinodimethane: Molecular structures, spectral, and DFT studies

作者：Shehab Ola R^*; Mansour Ahmed M

来源：Journal of Molecular Structure, 2015, 1093: 186-194.

DOI：10.1016/j.molstruc.2015.03.048

• Pharmaceutical analysis
• Fluoroquinolone
• Charge transfer
• MEP

A simple, sensitive and rapid method was developed for the quantitative analysis of sparfloxacin in its pharmaceutical formulations through the formation of charge transfer complexes with it-acceptor systems. The Lambert-Beer's law was obeyed in the concentration ranges of 7-70 and 10-50 mu g/mL sparfloxacin for 2,3-dichloro-5,6-dicyano-1,4-benzoquinone and tetracyanoquinodimethane. Structural. characterization of the isolated solid CT complexes was carried out by IR, H-1 NMR, UV-Vis. and MS. The experimental studies were complemented by quantum chemical calculations at DFT level of theory. The electronic structures were investigated by TD-DFT calculations. Natural bond orbital analysis and molecular electrostatic potential maps were helpful in assigning the CF route. The formation constant, molar extinction coefficient, oscillator strength, dipole moment, standard free energy and ionization potential were calculated.

• 出版日期2015-8-5