الملخص: Samarium-benzylidene Schiff base adduct with the formula [Sm(NO3)3(H2O)3].2L (L= (E)-1-phenyl-N-(4H-1,2,4-triazol-4-yl) methanimine) (1) has been prepared, with two water molecules bonded to the samarium center form hydrogen bond with three molecules of title Schiff base through nitrogen atoms of the triazole rings. The chemical structure was confirmed by means of single-crystal X-ray diffraction (scXRD), FT-IR, electrical conductivity, thermogravimetric analysis (TGA), mass spectrometry and elemental analysis. The title complex 1 crystallizes in the triclinic P-1 space group. The unit cell parameters are a = 10.4045(1) Å, b = 12.5403(1) Å, c = 12.5477(2) Å, a = 96.668(1)o, b = 110.810(1)o, g = 111.567(1)o, V = 1.788 Å3, Z = 2, Rgt(F) = 0.0223, wRref(F2) = 0.0576. The samarium ion is in a distorted capped square antiprism environment, coordinated by three bidentate nitrates and three coordination water molecules. The [Sm(H2O)3(NO3)3] complex and the (E)-1-phenyl-N-(4H-1,2,4-triazol-4-yl)methanimine) moiety (L) are held together via hydrogen interactions to form a 2-D supramolecular framework. It is a non-electrolyte as indicated by its molar conductivity (ΛM= 10.1 S cm2 mol-1) in MeOH at 1.0 mM. The mass spectral results confirm the suggested structure of the investigated adduct.

الملخص: Ethyl4-(2-hydroxy-benzylideneamino) benzoate Schiff base (C16H15NO3), were synthesized and the structure was studied against the bases of X-ray, UV, visible, elemental analysis, 1HNMR, IR and Mass spectroscopy. The crystal structure of the nickel complex has been determined by single crystal X-ray conformed the molecule, which indicate the compound is crystalline in the monoclinic C2 / c with a = 16.0916 (5) Å, b = 6.0315 (2) Å, c =29.0072 (10) Å, α = 90.00°, β= 101.856 (2)°, γ = 90.00°, V= 2755.3 (2) Å3 and Z = 8. Because of intra-molecular hydrogen bond involving the O atom of hydroxy group and N atom of azomethine group; the two benzene rings and azomethine group are practically coplanar. The Cobalt complex was prepared; the structure was characterized in the bases of IR spectra, elemental analysis, UV - visible, and conductance measurements. Also, the biological activity of both Schiff base and its Cobalt complex show that they are biologically active.

الملخص: C16H17NO3, triclinic, P1̅ (no. 2), a = 7.5445(7) Å, b = 8.3326(9) Å, c = 12.4291(10) Å, α = 94.468(8)°, β = 91.063(7)°, γ = 116.644(10)°, V = 695.01(13) Å3, Z = 2, Rgt(F) = 0.0461, wRref(F2) = 0.1240, T = 291 K. The asymmetric unit of the title crystal structure is shown in the figure. Tables 1 and 2 contain details of the measurement method and a list of the atoms including atomic coordinates and displacement parameters.

الملخص: 2-{(Z)-[(4-methylphenyl)imino]methyl}phenol Schiff base (C14H13NO),were synthesized and the structure was elucidated in the bases of 1HNMR and X-ray. The X-ray establish the conformation of the molecule, which indicate the compound is crystalline in the monoclinic P 21/c with a = 19.3092(19) Å, b = 4.7611(4) Å, c = 12.2222(11) Å a = 90°, b = 102.087(10)°, g = 90°and Z = 4. Two benzene rings and azomethine group are practically coplanar, as a result of intramolecular hydrogen bond involving the O atom of hydroxyl group and N atom of azomethine group.

الملخص: Two charge transfer complexes based on an organic basic donor, tris(hydroxymethyl)- aminomethane (Tris), and two π-acceptors having acidic protons, picric acid (PA) and chloroanilic acid (CA), were synthesized for the first time. Some physicochemical analyses including UV-Vis, FT-IR and 1H-NMR were employed to investigate and confirm the proposed chemical structures of the prepared complexes. It was found that the donor–acceptor molar ratio is 1:1 for Tris:PA and 1:2 for Tris:CA charge transfer complexes. The formed charge transfer complexes have –NH3 + and –OH2 + ions as a result of proton transfer from acidic to basic centers. The formation constant (KCT) and molar absorptivity coefficient (CT) were calculated from the experimental spectroscopic data. Thermodynamic studies for both charge transfer complexes showed the favorability of the complex formation.

الملخص: Complexes of zinc with ligands prepared through the reduction of Schiff bases derived from salicylaldehyde and the primary aliphatic amines 1,4-diaminobutane (H2Salbn), 1,6-diaminohexane (H2Salhx), and tris(hydroxymethyl) aminomethane (H2Saltris) have been prepared and proposed as models of the active site of the zinc enzyme Aeromonas Proteolytica aminopeptidase. The complexes were characterized by 1H-NMR, FT-IR spectroscopy, and mass spectrometry. In complexes of both H2Salbn and H2Salhx, the 5-ccordinate zinc atoms are present in a N,O environment with bridging carboxylate ligands thus providing close analogues to the enzyme's active site. On the other hand, the complex of H2Saltris contains one zinc atom with an all-oxygen environment and one zinc atom bound to one N and five O atoms.

الملخص: Schiff base diethyl 4,4-(pentane-2,4-diylidenebis(azanylylidene))benzoate (1) as a new ligand (L) was prepared by the reaction of acetylacetone with benzocaine in the ratio of 1 :1. Two transition-metal complexes, [Ni(II)(LCl(HOEt))] (2) and [Zn(II)(LCl(HOEt))] (3), have been synthesized from metal salts with didentate Schiff base ligand (L) and characterized by elemental analyses, FT-IR, 1H NMR, 13C NMR UV-Vis spectroscopy, and magnetic susceptibility. +e biological activity of the complexes was studied. In addition, the M06-2x density function theory method and the 6-31G(d) basic set were applied to determine the optimized structures of 1–3 and to determine their IR and 1 H NMR, 13C NMR spectra theoretically. +e data are in good agreement with the experimental results. +e geometries of complexes 2 and 3 were determined to be square-planar for 2 and tetrahedral for 3

الملخص: A new samarium Schiff base complex with the formula [SmIII(NO3)3(H2O)L2]⋅EtOH, where L = {(E)-2- (((4-(ethoxycarbonyl)phenyl)iminio)-methyl)phenolate}, is synthesized. Its molecular structure is determined by means of single crystal X-ray diffraction (XRD). The complex crystallizes in the orthorhombic space group Pbca with the following unit cell dimensions: a = 14.1304(19) Å, b = 18.0218(13) Å, and c = 31.246(2) Å. Photoluminescence characteristics of the complex are investigated experimentally in the solid state and obtained theoretically using the Sparkle/PM7 modeling. Moreover, several methods such as powder XRD, FT-IR and UV-Visible spectroscopy are utilized to confirm the structure of the complex

الملخص: Charge transfer complexes based on tyramine (Ty) (4-(2-aminoethyl) phenol) organic basic donor and π -acceptors having acidic protons such as picric acid (PA), and chloroanilic acid (CA) with the compositions, [(Ty)(CA)2] and [(Ty)(PA)2] have been synthesized and the chemical structures were confirmed by thermal analysis and physicochemical studies such as UV visible, FT-IR and 1H-NMR spectral studies. Spectroscopy measurements show that the donor–acceptor molar ratio was found to be 1: 2 for both (Ty): (PA) and (Ty): (CA) charge transfer complexes, in addition to that the ArNH+ 3 ammonium ion and OH2+ were formed under the acid–base theory through proton transfer from an acidic to basic centers in charge transfer complexes, as well as the spectroscopic data were discussed in terms of formation constant (KCT) and molar extinction coefficient (εCT). Thermal behavior of both charge transfer complexes showed that the complexes were more stable than their parents.

الملخص: The thermal condensation of 3-(2-Furyl)acrolein with 2-Amino-6-ethoxybenzothiazole generated a new Schiff base, (1E,2E)-N-(6-ethoxybenzo[d]thiazol-2-yl)-3-(furan-2-yl)prop-2-en-1-imine (L), with general formula of C16H14N2O2S. Also, a series of lanthanide complexes of gadolinium, samarium, and neodymium (La–Lc) were synthesized utilizing acetonitrile as the solvent and triethylamine as a buffer and catalyst. Based on elemental analysis, mass spectroscopy, and FTIR analysis, all of the Bis-(1E,2E)-N-(6-ethoxybenzo[d]thiazol-2-yl)-3-(furan-2-yl)prop-2-en-1-iminetrinitratolanthanide( III) complexes with the general formula [LnL2(NO3)3]
H2O are solids with a 2:1 molar ratio (ligand: metal). Based on conductivity estimates, they are nonelectrolytes and monoatomic paramagnetic according to the magnetic moment measurements, and one mole of lattice water was found after thermal gravimetric measurements and FTIR analysis. Therefore, the lanthanide complexes show a ten-coordination structure with a deformed bicapped square antiprismatic. The Schiff base and its complexes were screened for their antimicrobial, antifungal, antioxidant, and antitumor properties. Their antimicrobial and antifungal activities were strong, and they also produced good antioxidant and antitumor effects.

الملخص: New neodymium (1a) and samarium (1 b) complexes with the general formula [LnIII(NO3)3(H2O)3L]·L (1) were synthesized based on the previously reported ligand L (L = (1E,2E)-3-(furan-2-yl)-N-(4H-1,2,4-triazol-4-yl)prop-2-en-1-imine) which were investigated by X-ray analysis. Through X-ray studies, it was shown that the Schiff base L coordinates to LnIII via κN-bonding of one of the triazole ring nitrogen atoms as a monodentate ligand, three κ2OO′-bonded nitrate ions and three κO-bonded water molecules completing the coordination sphere around the LnIII ion, resulting in a tenfold-coordinated LnNO9 unit in a distorted bicapped square antiprismatic geometry. The mononuclear complex units [Ln(NO3)3(H2O)3·L] are linked to the L molecule through intermolecular hydrogen-bonding interactions to form a 2 D polymeric supramolecular architecture. The complexes are neutral and paramagnetic mononuclear complexes, as determined by conductivity and magnetic investigations at room temperature, as well as findings from FT-IR and UV–vis spectroscopy. Finally, thermogravimetric measurements confirm the presence of three water molecules in the coordination sphere. In the visible region, the spectrum of the complex shows typical parity forbidden narrow 4f–4f absorptions originating from the 4I9/2 ground state to the various excited states of NdIII.

الملخص: The 1:2 reaction between Ln(NO3)3⋅6H2O (1) (Ln = Nd (a), Gd (b) or Tb (c)) and ((E)-ethyl 4-((2-hydroxybenzylidene) amino)benzoate) (LN,OH) in ethanol has provided access to the complexes [LnIII(LNH,O)2(NO3)3(H2O)] (2a–c) in good yield. The isomorphous structures of 2a–c have been determined by single-crystal X-ray crystallography. The LnIII ions in 2a–c are coordinated by 9 oxygen atoms: two from the phenolate oxygen atoms of the Schiff bases, six from three chelating nitrato groups and one aqua ligand. The ligands LN,OH behave as monodentate phenolate O–donors, whereby an additional hydrogen atom is bonded to the imino nitrogen atom, resulting in a formally neutral ligand that adopts an exceptionally unusual coordination mode engaging in the zwitterionic form. The nine donor atoms that define the coordination polyhedra surrounding the LnIII ion are best described as capped square antiprisms. The crystal structures are based on a variety of intermolecular interactions. Hirshfeld surface analysis was used to assess the degree of interactions between the molecules. Susceptibility measurements on 2a–2c confirm the occurrence of the free ion ground 2S+1LJ state at room temperature. However, the magnetization measurements at 2 K revealed a lack of saturation at the highest applied field of 70,000 Oe for both 2a and 2c, indicating the presence of substantial magnetic anisotropy in these compounds. On the other hand, 2b exhibits perfect paramagnetic behavior with magnetic saturation at high fields, indicating the absence of significant magnetic anisotropy in this compound. Solid-state IR and UV/VIS data are discussed in terms of the structural features. Solid 2a–c emit in the visible region upon UV-Excitation with the emission exhibiting dopant characteristics.

الملخص: 2,2'-((1E,1'E)-(butane-1,4-diylbis (azanylylidene))bis (methanylylidene)) diphenol Zwitterion (L) (4`) was prepared by treatment of two equiv. of (3-(2-Furyl)acrolein) (1) with one equiv. of ,4-Butanediamine (2) in refluxing ethanol, through intramolecular Diels-Alder reaction. Three new lanthanide compounds based on (4`), [Ln2(NO3)4(H2O)2L3].2NO3 (5) (a, Ln = Gd; b, Ln = Nd; c, Ln = Sm) have been obtained and further characterized by elemental analysis, conductivity, magnetic measurements, FT-IR, powder x-ray and thermogravimetric analysis. Compounds 5ac exhibits a discrete dinuclear structure constructed by three ligands coordinating two Ln3+ ions. The oxygen atoms of the diphenol are involved in the coordination of compound 5, while the nitrogen at of the imine are not involved. A hypersensitive transition could be observed at 877, 807 753, 588, 522 nm in the UV-visible absorption spectrum of the neodymium complex 5b which corresponding to 4I9/24F3/2 (877 nm); 4I9/24F5/2, 2H9/2 (807 nm); 4I9/24S3/2, 4F7/2 (753 nm); 4I9/22G7/2, 4G5/2 (588 nm); 4I9/2 4G9/2 4G7/2, and 2K13/2 (522 nm), respectively, could be observed. Emission spectra of the ligand and its samarium complex 5c revealed characteristic luminescence within the visible region with the emission of the Samarium complex being relatively red shifted.

الملخص: A single-crystal X-ray diffraction investigation verified the chemical structure of (E)-ethyl-4-(5–bromo-2- hydroxybenzylidene amino)benzoate ( 1 ). Schiffbase 1 crystallizes in the triclinic space group P ¯1 with unit cell dimensions of a = 5.961(2), b = 7.499(3), c = 17.112(6) ˚A and unit cell angles of α= 95.565(12), β= 94.192 (13), γ= 104.689(13) °. Density functional theory (DFT) calculations utilizing the B3LYP level of theory and the 6–31 + G (d,p) basis set have validated the reported experimental geometries and spectroscopic data (UV–vis, FT-IR, 1 H NMR) for 1 and 2-((E)-(4H-1,2,4-triazole-4-ylimino)methyl)-4- bromophenol ( 2 ), whereby Schiffbase 2 corresponds to a literature known compound. The optimized ge- ometry generated from DFT simulations was used to compute the molecules’ vibrational frequencies. The experimentally observed frequencies are compared to the DFT calculated ones. TD-DFT simulations were also used to study the compounds’ molecular electronic structures. The results of UV–vis spectroscopy, both experimental and computed, support the synthesis of the target compounds. The calculations of the molecular electrostatic potential surfaces of compounds 1 and 2 were performed. According to the calculated molecular electrostatic potential results, the reactive sites of 1 and 2 were determined. The compounds showed bactericidal activity against selective Gram-positive and Gram-negative bacte- ria except for 2 with no candidacidal activity compared to 1 . In vitro cytotoxicity of 1 and 2 was screened for MCF-7 and fibroblasts cell lines by MTT assay. Results showed that 1 is more cytotoxic than 2 on MCF-7 but nontoxic on fibroblasts indicating that 1 has potential for further development in the search of safe and potent anticancer agent.

الملخص: (2-(( p -tolylimino)methyl) phenol ) Schiffbase as ligand ( L ) reacts with Ln(NO 3 ) 3 6H 2 O; Ln = with 1:3 molar ratio Three neutral lanthanides Schiffbase coordination complexes L a , L b and L c had a general formula [Ln III ( L O ’ ) 3 (NO 3 ) 3 ]; Ln = Nd ( a ), Tb ( b ) and Dy ( c ). Through the reaction, ligand ( L) was converted into 2-((p-tolyliminium)methyl)phenolato) ( L’ ) zwitterionic tautomer, three units of L’ whose phenolato oxy- gen donor atoms are kO -bonded to Ln(III), whereas the coordination sphere of Ln(III) is surrounded by three k 2 OO ’-bonded nitrate ions produce nine-coordinated LnO 9 unit exhibits a distorted tricapped trigo- nal prismatic structure. In vitro antimicrobial activity showed effectiveness of Lc by a comparative study of MIC values against Candida albicans and Staphylooccus aureus ATCC 29213 which was identified to exhibit higher antimicro- bial activity than the free ligand. The magnetic properties of L a , L b and L c have been investigated using SQUID (Superconducting Quan- tum Interference Device) magnetic susceptibility measurements.

الملخص: A reversed-phase high performance liquid chromatographic method (HPLC) with UV detection has been developed and validated for the qualification and quantization of synthesized (E)-ethyl 4-(2-hydroxybenzylidene amino) benzoate Schiff base which has an absorption maximum wavelength (λmax) at 280 nm using a UV detector. The HPLC method employs a C18 5µm particle size analytical column (250 mm x 4.6 mm), column temperature-controlled at 40⁰C, detection at 280 nm and 15-µL injection volume with isocratic elution mode of a methanol/water (50:50, v/v) mobile phase at a flow rate of 1.0 mL/min. The statistical validation parameters such as linearity (Range), accuracy (recovery), precision (repeatability and Intermediate Precision (Ruggedness), System Suitability and Robustness were checked, the benzoate Schiff base concentrations were found to be 0.02 mg/ml, relative concentration 2%, recovery and assay studies of benzoate Schiff base were within (98-102) %. The retention time is about 6.4 min which is within the precision of 10 %. The standard deviations of relative peak areas were within 2% indicating the suitability of the system which support a suitable suggested method for the synthesized title.