Abstract
Abstract Sparfloxacin is analyzed using FTIR and UV-Vis spectrometers; theoretically the structure is geometry optimized using density functional theoretical approach with method of calculation. After optimization, the vibrational frequencies are calculated. An acceptable match is observed between the measured and the calculated data. Electron density of the molecule is studied by using natural bond orbital (NBO) methodEnergy difference is calculated and found equal 4.314 eV this is difference in energy between the high occupied molecular orbitals (HOMO) and (lowest unoccupied molecular orbitals) LUMO energies. This value explains the interaction between the charging transfer and the structure that affects the biological behavior. The electrostatic potential map (MEP) of the molecule shows that the molecular sites having negative potential (the sites of oxygen, nitrogen and fluorine atoms) together with the sites having positive potential specifically on hydrogen atomsThe UV-VIS analyses of Sparfloxacin had undertaken and results confirmed the charge moving to molecule.
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