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University Hosts Annual Research Conference

March 2025

The University of Fallujah recently hosted its annual research conference, bringing together scholars, students, and industry experts to discuss the latest developments in science and technology.

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Author: search.filters.author.Othman I. Alajrawy

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Now showing 1 - 5 of 5
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    New molybdenum(VI) complexes with bidetantete (N,N), (N, S), and (S, S) ligands spectral characterization and theoretical calculations
    (2025-05-25) Othman I. Alajrawy; Alaa Mh. EeSee
    [MoO2(acac)(ATP)], [MoO2(4CPD)(ATP)], [MoO2(ATP)2], and [MoO2(ATP)(DTO)] are four new MO(VI) complexes have been synthesized, where (acac) is acetylacetone, (ATP) is 2-aminothiophenol, (4CPD) is 4-chloro-ophenylenediamine, and (DTO) is dithiooxamide. The complexes were characterized using a variety of spectral techniques, such as mass spectroscopy, 1 H NMR, FT-IR, UV–Vis., and theoretical calculations. The FT-IR spectra showed that the oxygen, nitrogen, and sulfur atoms coordinated the ligands with the MO(VI) ion. The mass spectrum of each complex describes its mononuclear structure. The complexes are diamagnetic and have an electrical configuration of d0 . The complexes’ lowest unoccupied molecular orbitals ranged in energy from − 0.095 to − 0.260 a.u., while their highest occupied molecular orbitals ranged from − 0.347 to − 0.373 a.u., according to the computational results. The complexes were found to be softer and more soluble than the free ligands. The prepared complexes feature distinct coordination environments around the MO(VI) ion, specifically: (2O, N, S), (3N, S), (2N, 2S), and (N, 3S). This variation in the percentage of sulfur atoms surrounding the Mo(VI) ion was intentionally designed based on Pearson’s Hard and Soft Acids and Bases theory. The comparatively easier electronic transitions observed in the complexes, relative to the free ligands, suggest their potential for future application in photocell research. For each complex, a distorted octahedral geometry was proposed based on the calculated bond lengths and bond angles.
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    Cytotoxic evaluations, spectral characterizations and DFT theoretical calculations of new dioxidovanadium(V) complexes
    (Mongolian Journal of Chemistry, 2025-05-26) Othman I. Alajrawy; Huda A. Hadi; Roaa S. Awad Al-Luhaib; Sarah S. Sabar
    Two dioxidovanadium(V) complexes have been prepared with dinitrogen atoms donor (ophenylenediamine (OPD) and dithiooxamide (DTO)) ligands. The cytotoxicity studies of the prepared complexes against the L20B cell line displays that they have moderate activity 15 against the L20B cell line. Then, the complexes were characterized by different spectral techniques such as FT-IR, UV-Vis., mass, 1H-NMR spectroscopy, magnetic susceptibility, and molar conductivity. Finally, the spectral data were compared with the data obtained by 18 the DFT theoretical calculations. The obtained spectroscopic data confirmed that the two ligands are coordinated from the two amine groups and in cis-conformation with the two oxygen atoms. The experimental and theoretical calculations show that the two complexes 21 are mononuclear with proposed distorted octahedral structures. The complexes are very stable, the electronic energies are (-773.10 and -907.56 a.u.), the HOMO orbitals energies are (-0.386 and -0.504 a.u.), and the LUMO orbitals energies are (-0.213 and -0.421 a.u.) 24 for the complexes; respectively. The bond angles around the vanadium(V) atoms are in the range (69.44-91.36 A°), and the dihedral angles are in the range (111.22-161.94°). Calculations explained that the complexes are polarized (3.39-5.28) more than free ligands 27 (0.002-3.00). The electronic transition in the complex (2) (0.083) is less than for the complex (1) (0.173). After that, the findings showed that the two complexes have the feature of solubility in water rather than other anticancer compounds that lack such a property; even 30 though using different metal complexes like Platine complexes, etc. Thus, this feature will help researchers use such complexes in future studies
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    NEW OXOMOLYBDENUM(IV) COMPLEXES WITH ADDUCTED MONODENTATE LIGANDS, SPECTROSCOPIC CHARACTERIZATION, DFT CALCULATIONS, BIOLOGICAL AND ANTIOXIDANT ACTIVITY
    (Bull. Chem. Soc. Ethiop, 2024-06-24) Noor F. Abdalah; Othman I. Alajrawy; Sattar R. Majeed
    Oxomolybdenum(IV) complexes with chemical formula [MoO(ATP)(DIAB)(AMP)] (C1), [MoO(ATP)(DIAB)(Atri)] (C2), [MoO(ATP)(HNQ)(AMP)] (C3) and [MoO(ATP)(HNQ)(Atri)] (C4) have been synthesized and studied using different spectral methods, including atomic absorption, FTIR, UV-Vis., mass spectroscopy, magnetic sensitivity, electrical conductivity, and C.H.N.S. analysis. The ligands were 2- aminothiophenol (ATP), 3,4-diaminobenzoic acid (DIAB), 2-hydroxy-1,4-naphthoquinone (HNQ), 6-amino-2- methylpyridin (AMP), and 3-amino-1,2,4-triazole (Atri). The FTIR spectra confirm (DIAB, AMP, and Atri) were coordinated by amine nitrogen, whereas the (HNQ) ligand was by oxygen, and the (ATP) by nitrogen and sulfur atoms. The υ(S-H) band vanished in comparison to the (ATP) ligand, this demonstrates how Mo(IV) and the sulfur atom. The (HNQ) ligand's oxygen atoms work in tandem with the Mo(IV). Mo(IV) complexes with d2 are paramagnetic. All complexes have been suggested to have an octahedral structure based on computed and experimental evidences. Two Gram-positive and two Gram-negative bacteria were used to test the (ATP) ligand and the produced complexes' activity. The complexes showed an expanded zone of inhibition, indicating that they were more lipophilic than the free (ATP) ligand. Finally, the antioxidant activity of the complexes was tested, and the result showed the following order: Gallic acid ˃ C3 ˃ C2 ˃ C4 ˃ C1 in 60 min.
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    Dioxomolybdenum (VI) and oxomolybdenum (IV) complexes with N, O, and S bidentate ligands, syntheses, spectral characterization, and DFT studies
    (Journal of Molecular Structure, 2022) Othman I. Alajrawy; Ayad A. Almhmdi
    Two dioxomolybdenum (VI) complexes with the chemical formula [MoO 2 (acac)(HPY)], [MoO 2 (DTO)(HPY)], and oxomolybdenum (IV) complexes [MoO(acac)(HPY)], [MoO(DTO)(HPY)] have been prepared and char- acterized by different spectral techniques such as (FTIR, UV-Vis., Mass, 1 H NMR) spectra, magnetic suscep- tibility, and theoretical studies. The ligands used in this study were acetylacetone, 2-hydrazinopyridine, and dithiooximid. The spectroscopic data and the theoretical calculations suggested distorted octahedral structures for the dioxomolybdenum(VI) complexes. The dioxomolybdenum(VI) complexes were diamag- netic. The oxomolybdenum(IV) complexes are paramagnetic and have distorted square pyramidal struc- tures. Theoretical calculations of the free ligands and the prepared complexes have been done by using DFT calculations using (G 09 W) software. The complexes were very stable and their energies ranged from ( −708.85 to −921.99 a.u.) whereas the free (HPY) and (DTO) ligands were ( −359.06 and −984.54 a.u.), respectively. The prepared complexes are polar (8.11–10.80 Debye) for Mo(VI), and (6.63–13.72 Debye) for Mo(IV). The HOMO orbital energies of the Mo(VI) complexes are ( −0.229, and −0.377 a.u.), respectively whereas for the Mo(IV) complexes are ( −0.192, −0.318 a.u.), respectively while for the (HPY) and (DTO) ligands are ( −0.216, −0.262 a.u.). The LUMO orbitals energies of the Mo(VI) complexes are ( −0.124, and −0.247 a.u.) and for the Mo(IV) are ( −0.093, −0.208 a.u.), respectively.
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    NEW OXOMOLYBDENUM(IV) COMPLEXES WITH ADDUCTED MONODENTATE LIGANDS, SPECTROSCOPIC CHARACTERIZATION, DFT CALCULATIONS, BIOLOGICAL AND ANTIOXIDANT ACTIVITY
    (Chemical Society of Ethiopia and The Authors, 2025) Noor F. Abdalah; Othman I. Alajrawy; Sattar R. Majeed
    Oxomolybdenum(IV) complexes with chemical formula [MoO(ATP)(DIAB)(AMP)] (C1), [MoO(ATP)(DIAB)(Atri)] (C2), [MoO(ATP)(HNQ)(AMP)] (C3) and [MoO(ATP)(HNQ)(Atri)] (C4) have been synthesized and studied using different spectral methods, including atomic absorption, FTIR, UV-Vis., mass spectroscopy, magnetic sensitivity, electrical conductivity, and C.H.N.S. analysis. The ligands were 2 aminothiophenol (ATP), 3,4-diaminobenzoic acid (DIAB), 2-hydroxy-1,4-naphthoquinone (HNQ), 6-amino-2 methylpyridin (AMP), and 3-amino-1,2,4-triazole (Atri). The FTIR spectra confirm (DIAB, AMP, and Atri) were coordinated by amine nitrogen, whereas the (HNQ) ligand was by oxygen, and the (ATP) by nitrogen and sulfur atoms. The υ(S-H) band vanished in comparison to the (ATP) ligand, this demonstrates how Mo(IV) and the sulfur atom. The (HNQ) ligand's oxygen atoms work in tandem with the Mo(IV). Mo(IV) complexes with d2 are paramagnetic. All complexes have been suggested to have an octahedral structure based on computed and experimental evidences. Two Gram-positive and two Gram-negative bacteria were used to test the (ATP) ligand and the produced complexes' activity. The complexes showed an expanded zone of inhibition, indicating that they were more lipophilic than the free (ATP) ligand. Finally, the antioxidant activity of the complexes was tested, and the result showed the following order: Gallic acid ˃ C3 ˃ C2 ˃ C4 ˃ C1 in 60 min