361440-80-4Relevant articles and documents
Polymer complexes. LXXVIII. Synthesis and characterization of supramolecular uranyl polymer complexes: Determination of the bond lengths of uranyl ion in polymer complexes
Diab,Nozha,El-Sonbati,El-Mogazy,Morgan, Sh.M.
, (2019)
The UO2(II) polymer complexes (1–5) of azo dye ligands 5(4`-derivatives phenylazo)-8-hydroxy-7-quinolinecarboxaldehyde (HLx) were prepared and characterized by elemental analysis, 1H NMR, IR spectra, thermal analysis and X-ray diffraction analysis (XRD). The molecular geometrical structures and quantum chemical of the ligands (HLx) and their tautomeric forms (D and G) were calculated. Molecular docking between the HLx ligands and their tautomeric form with two receptors of the breast cancer (1JNX) and the prostate cancer (2Q7K) was discussed. From the histogram of the HOMO–LUMO energy gap (ΔE) and the estimated free energy of binding of the receptors of prostate cancer (2Q7K) and breast cancer (1JNX) for the ligands (HLx), it is observed that the ΔE values of the ligands (HLx) increases in the order HL2?3?4?1?5. The electronic structures and coordination were determined from a framework for the modeling of the formed polymer complexes. From the IR spectra of the polymer complexes, the symmetric stretching frequency υ3 values of UO2 2+ were used for the determination of the force constant (FU-O (in 10?8?N/?)) and the bond length (RU-O (?)) of the U–O bond by using Wilson, G. F. matrix method, McGlynn & Badger's formula and El-Sonbati equations. The plot of the bond distance rU-O (r1, r2, r3, and rt) vs. υ3 was showed straight lines with increase in the value of υ3 and decrease in rU-O.
Stereiochemistry of new nitrogen-containing heterocyclic aldehydes. XII. Supramolecular structures and properties models of ruthenium with quinoline azodyes
Al-Shihri,Khalil,El-Sonbati
, p. 6 - 10 (2007/10/03)
Novel bis- and tris-complexes of ruthenium(III) with 5-(4′ -derivative phenyldiazo)-8-hydroxy-7-quinolinecarboxaldehyde (HLn) have been characterised on the basis of elemental and thermal analysis, IR, magnetic and electronic spectral analysis as well as conductivity measurements. Electronic spectra show that all complexes are octahedral with chloride are attached to the metal ion in a 1:2 (metal:ligand) ratio. The spectral data were utilised to compute the ligand field parameters B, β and Dq. The B-values suggest a strong covalency in the metal-ligand σ-bond and the Dq-values indicate a medium-strong ligand field. It is apparent that the β values depend greatly upon the electronegativity of the donor atoms and the ligand structure and also the effect of the p-substituent groups. IR spectra indicate that the ligand is bidentate forming a six-membered chelating ring with concomitant formation of an intramolecular hydrogen bond. The ligands are present in associated form in solution via intermolecular hydrogen bonding. The effect of Hammett's constant on the ligand field parameters is also discussed.
