A Comparison between Experimental and Theoretical Spectroscopic Data of Ofloxacin | Abstract

Der Pharma Chemica
Journal for Medicinal Chemistry, Pharmaceutical Chemistry, Pharmaceutical Sciences and Computational Chemistry

ISSN: 0975-413X
All submissions of the EM system will be redirected to Online Manuscript Submission System. Authors are requested to submit articles directly to Online Manuscript Submission Systemof respective journal.


A Comparison between Experimental and Theoretical Spectroscopic Data of Ofloxacin

Author(s): Fatima Zohra Mimouni, Nasser Belboukhari1, Khaled Sekkoum, Abdelkrim Cheriti

Fluoroquinolones are an essential class of antibacterial, and widely used in clinical application. This article concerns the spectroscopic and theoretical investigation of Ofloxacin. The experiment results were performed with Infra-Red (IR) spectroscopy, Ultra-Violet (UV) visible spectroscopy and Nuclear Magnetic Resonance (NMR) spectroscopy. Theoretical calculations were performed with Gaussian 09W and Gauss View 5 software Packages. The structure, conformational stability, geometry optimization and vibrational frequencies of Ofloxacin (OFL) have been investigated using density functional theory DFT-B3LYP methods with the 6-31++G(d,p) basis set. The Mulliken atomic charges of the title molecule were also performed using the DFT method. The presented spectroscopic investigation on OFL shows the good agreement between observed spectra and theoretical predictions of the drug. In IR spectra, the difference in intensities is seen may be due the intramolecular H-bonding in experimental study. In the experimental and theoretical studies of UV absorption energy of OFL are almost similar. For the Proton Nuclear Magnetic Resonance (1H-NMR) observed and theoretical predicted spectra are shown as the same results.

Full-Text PDF

Select your language of interest to view the total content in your interested language

30+ Million Readerbase
SCImago Journal & Country Rank
Google Scholar citation report
Citations : 25868

Der Pharma Chemica received 25868 citations as per Google Scholar report

Der Pharma Chemica peer review process verified at publons
Der Pharma Chemica- Journals on pharmaceutical chemistry