A. F. Jalbout

ANALYSIS OF THE INTRA-MOLECULAR HYDROGEN BOND STRENGTH IN 3-HYDROXY-PROPENETHIAL (HPT)

The molecular structure and intra-molecular hydrogen bond energy of 20 conformers of 3-hydroxy-propenethial were investigated by using the MP2 and B3LYP levels of theory coupled to the 6-311++G** basis set. Also, computations for all the possible conformations of HPT in water and carbon tetrachloride solution were performed. The calculated geometrical parameters and conformational analyses in both gas phase and solution reveal that the closed ring hydrogen bonded structures are more stable than the remainder of the species. Hydrogen bond energies for various hydrogen-bonded conformers were obtained and investigated by means of the Bader theory of atoms in molecules (which is based on topological properties of the electron density).

Synthesis and Physical Characterization of 2-((E)-1-(3-((E)-1-(2-hydroxyphenyl)ethylideneamino)-2- methylphenylimino)ethyl)phenol

In this paper we propose the synthesis of 2-((E)-1-(3-((E)-1-(2-hydroxyphenyl) ethylideneamino)-2-methylphenylimino) ethyl) phenol. In addition to its synthesis we present AM1 and B3LYP/6-31G* calculations to characterize the physical properties of the molecule.

Synthesis and physical characterization of 1-(2,4-dimethoxyphenyl)-4-(4-nitrophenyl)-3-phenoxyazetidin-2-one

In this paper we propose the synthesis of 1-(2,4-dimethoxyphenyl)-4-(4-nitrophenyl)-3- phenoxyazetidin-2-one as a new monocyclic β-lactam. Its structure has been confirmed by IR, 1H-NMR, 13C-NMR and Mass spectroscopic data. In addition to its synthesis we present AM1 calculations to characterize the physical properties of the molecule.

Synthesis, Physical Characterization, Antibacterial and Antifungal activities of a novel bis(3-((E)-1-(2-hydroxyphenyl)ethylideneamino)phenyl)methanone

Bis (3-((E)-1-(2-hydroxyphenyl) ethylideneamino) phenyl) methanone has been synthesized in this paper and its structure was confirmed by 1H-NMR, 13C-NMR, IR and Mass spectra. Its AM1 and B3LYP/6-31G* calculations to characterize the physical properties of this molecule has been also presented. Finally, the antifungal and antibacterial activities of this derivative have been evaluated.