[NiCl₂(C₁₄H₁₂N₂)(H₂O)] complex has been synthesized from nickel chloride hexahydrate (NiCl₂·6H₂O) and 2,9-dimethyl-1,10-phenanthroline (dmphen) as N,N-bidentate ligand. The synthesized complex was characterized by elemental analysis, infrared (IR) spectroscopy, ultraviolet-visible (UV-vis) spectroscopy and differential thermal/thermogravimetric analysis (TG/DTA). The complex was further confirmed by single crystal X-ray diffraction (XRD) as triclinic with space group P-1. The desired complex, subjected to thermal decomposition at low temperature of 400 °C in an open atmosphere, revealed a novel and facile synthesis of pure NiO nanoparticles with uniform spherical particle; the structure of the NiO nanoparticles product was elucidated on the basis of Fourier transform infrared (FT-IR), UV-vis spectroscopy, TG/DTA, XRD, scanning electron microscopy (SEM), energy-dispersive X-ray spectrometry (EDXS) and transmission electron microscopy (TEM).

The exo⇔endo isomerization of 2,5-dimethoxybenzaldehyde was theoretically studied by density functional theory (DFT) to examine its favored conformers via sp²–sp² single rotation. Both isomers were docked against 1BNA DNA to elucidate their binding ability, and the DFT-computed structural parameters results were matched with the X-ray diffraction (XRD) crystallographic parameters. XRD analysis showed that the exo-isomer was structurally favored and was also considered as the kinetically preferred isomer, while several hydrogen-bonding interactions detected in the crystal lattice by XRD were in good agreement with the Hirshfeld surface analysis calculations. The molecular electrostatic potential, Mulliken and natural population analysis charges, frontier molecular orbitals (HOMO/LUMO), and global reactivity descriptors quantum parameters were also determined at the B3LYP/6-311G(d,p) level of theory. The computed electronic calculations, i.e., TD-SCF/DFT, B3LYP-IR, NMR-DB, and GIAO-NMR, were compared to the experimental UV–Vis., optical energy gap, FTIR, and ¹H-NMR, respectively. The thermal behavior of 2,5-dimethoxybenzaldehyde was also evaluated in an open atmosphere by a thermogravimetric–derivative thermogravimetric analysis, indicating its stability up to 95 °C.

N-[(1E)-(3-Bromophenyl)methylene]-N-(2-piperidin-1-ylethyl)amine Schiff base was prepared in good yield and characterized by the reflux of equivalent amounts of 2-(piperidin-1-yl)ethanamine with 3-bromobenzaldehyde. The structure of the desired Schiff base was analyzed based on: elemental analysis, EI-MS, TG/DTG, UV-visible, FT-IR, ¹H and ¹³C-NMR spectral analysis. The condensation reaction was monitored by FT-IR.

Sulfur nanoparticles (S NPs) were prepared by a quick precipitation method in the absence and presence of tetraoctylammonium bromide (TOAB) that was used as a stabilizer to control the nanoparticles size. Scanning electron microscope (SEM), transmission electron microscope (TEM) and X-Ray Diffraction (XRD) were used to characterize the obtained S NPs. The average size of S NPs was in the range 2.4 – 8.9 nm, with spherical like shape. The NPs size was controlled by changing the preparation parameters: temperatures, different acid concentrations, different acid types and the presence of TOAB stabilizer. تم في هذه الدراسة تحضير حبيبات الكبريت بحجم النانومتر وبشكل كروي وبعدة احجام مختلفة وذلك عن طريق تفاعل ترسيب الكبريت على درجات حرارة مختلفة واستخدام تراكيز وانواع من احماض مختلقة تم ذلك بوجود وعدم وجود.TOAB المثبت السطحي تم تشخيص تم تشخيص العينات المحضرة باستخدام الاجهزة التالية: XRD, TEM , SEM. اظهرت النتائج ان حجم حبيبات الكبريت المحضرة يتراوح ما بين2.4-8.9 nm.

In this contribution, two novel supported and non-supported ruthenium(II) complexes of type [RuCl₂(dppme)(NN)] where [dppme is H₂C=C(CH₂PPh₂)₂ and NN is N1-(3-(trimethoxysilyl)propyl)ethane-1,2-diamine] were prepared. The NN co-ligand caused release of one of the dppme ligands from [RuCl₂(dppme)₂] precursor to yield complex 1. The process of substitution of dppme by NN was monitored by ³¹P{¹H}-NMR. Taking advantage of the presence of trimethoxysilane group in the backbone of complex 1, polysiloxane xerogel counterpart, X1, was prepared via sol-gel immobilization using tetraethoxysilane as cross-linker. Both complexes 1 and X1 have been characterized via elemental analysis, CV and a number of spectroscopic techniques including FT-IR, ¹H-, ¹³C-, and ³¹P-NMR, and mass spectrometry. Importantly, carbonyl selective hydrogenation was successfully accomplished under mild conditions using complex 1 as a homogenous catalyst and X1 as a heterogeneous catalyst, respectively.