Synthesis, Theoretical and Antimicrobial Activity Study of New Benzimidazole Derivatives | ||
| Egyptian Journal of Chemistry | ||
| Article 7, Volume 63, Issue 8, August 2020, Pages 2877-2886 PDF (1.21 M) | ||
| Document Type: Original Article | ||
| DOI: 10.21608/ejchem.2020.21324.2272 | ||
| Authors | ||
| Ali Taher Mohi* 1; Huda Ismail Al-Rubaye2; Firyal Weli Askar3; Hussein Jassim Abboud4 | ||
| 1Physics Department, College of Education, University of Mustansiriyah, Baghdad, Iraq. | ||
| 2Chemistry Department, College of Education for Pure Science / Ibn Al-Haitham, University of Baghdad, Baghdad, Iraq | ||
| 3Chemistry Department, College of Science, University of Mustansiriyah, Baghdad, Iraq | ||
| 4Chemistry Department, College of Science, University of Mustansiriyah, Baghdad, Iraq. | ||
| Abstract | ||
| Abstract A variety of synthetic routes to benzimidazole derivatives have been reported based on different heterocyclic rings such as Schiff bases, 2-azetidinone, 4-thiazolidinone and 1,3-oxazepan. Additionally, HOMO-LUMO and vibrational wavenumbers which represent the quantum mechanical calculations of energies were conducted by Density functional theory (DFT) method at the level of B3LYP with 6-31G(d,p) basis set. FTIR, ¹H NMR spectroscopy and spectral mass spectrometry were used to characterize these compounds; this was followed by measuring the biological activities for gram-negative, gram-positive bacteria and fungi by using diffusion protocol. The outcomes of DFT calculations showed consistency between the experimental values and theoretical of the vibrational and NMR spectroscopy. | ||
| Keywords | ||
| Keywords: benzimidazole; 2-Azetidinone; 4-thiazolidinone; DFT; HOMO-LUMO; antimicrobial activity | ||
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