European Journal of Chemistry

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ISSN / EISSN : 2153-2249 / 2153-2257
Published by: European Journal of Chemistry (10.5155)
Total articles ≅ 952
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European Journal of Chemistry, Volume 12; doi:10.5155/eurjchem.12.2.iii-vii.2125

European Journal of Chemistry, Volume 12, pp 124-132; doi:10.5155/eurjchem.12.2.124-132.2066

Abstract:
Attempts have been made to synthesis titanium dioxide (TiO2) nanoparticles using titanium (IV) complexes of Schiff base (TiOL) as a precursor where Schiff base ligand (L) act as a dibasic tetradentate one. TiO2 nanoparticles were synthesized by the direct calcination of titanium complexes at 500 °C for 3 hours. The analytical tools such as FT-IR, XRD, EDS, and SEM provided evidences in favor of the formation of TiO2 nanoparticles. Antimicrobial study showed that all prepared TiO2 nanoparticles have inhibition capacity on the growth against selected plant pathogenic fungi as well as some selected human pathogenic bacteria. Moreover, these TiO2 nanoparticles have catalytic capacity for the remarkable degradation (54.0%) of organic dye (Mordent brown 48) as well as industrial dye solutions.
European Journal of Chemistry, Volume 12, pp 204-215; doi:10.5155/eurjchem.12.2.204-215.2088

Abstract:
Three Schiff bases 1-(4-chlorophenyl)-N-(naphthalen-1-yl)methanimine (1), 1-(4-methoxy phenyl)-N-(naphthalen-1-yl)methanimine (2), and 1-(4-chlorophenyl)-N-(2,6-diisopropyl phenyl)methanimine (3) were synthesized and characterized by elemental analysis, 1H and 13C NMR, FT-IR and UV-Visible spectroscopic techniques. The crystal structure of compound 3 was obtained and it revealed that the compound crystallized in a monoclinic space group P21/n and there exists an intermolecular hydrogen bond in a phenyl-imine form with C-H⋯N. Crystal data for C19H22ClN: a = 7.28280(10) Å, b = 9.94270(10) Å, c = 24.0413(2) Å, β = 97.0120(10)°, V = 1727.83(3) Å3, Z = 4, μ(Mo Kα) = 0.215 mm-1, Dcalc = 1.1526 g/cm3, 14038 reflections measured (12.42° ≤ 2Θ ≤ 52.74°), 3448 unique (Rint = 0.0223, Rsigma = 0.0182) which were used in all calculations. The final R1 was 0.0337 (I≥2u(I)) and wR2 was 0.0927 (all data). The free radical scavenging activities of all three compounds were assayed using DPPH, FRAP, and OH assays. According to results obtained, compound 2 shows effective DPPH- (IC50 = 22.69±0.14 μg/mL), FRAP+ (IC50 = 28.44±0.12 μg/mL), and OH- (IC50 = 27.97±0.16 μg/mL) scavenging activities compared with compounds 1 and 3 but less than standard antioxidant compound Trolox (TRO). Additionally, theoretical calculations for the three complexes were performed by using density functional theory (DFT) calculations at the B3LYP/6-31++G(2d,2p) level in the ground state to obtain an optimized geometrical structure and to perform an electronic, molecular electronic potential surface and natural bond orbital (NBO) analysis. The geometrical calculation obtained was found to be consistent with the experimental geometry. Further analysis was conducted using the in silico technique to predict the drug likeness, molecular and ADME properties of these molecules.
European Journal of Chemistry, Volume 12, pp 216-221; doi:10.5155/eurjchem.12.2.216-221.2101

Abstract:
New Ti(IV), Zr(IV) and Al(III) salen-based complexes of formulae [(L)TiCl2], 2, [(L)ZrCl2], 3, and [(L){Al(CH2CH(CH3)2)2}2], 4, where L = meso-(R,S)-diphenylethylene-salen, were synthesized in high yields. [(L){Al(CH2CH(CH3)2)2}2] is a bimetallic complex that results from the reaction of H2L with either 1 or 2 equivalent of Al(CH2CH(CH3)2)3. The solid-state molecular structures of compounds 2 and 4·(C7H8) were obtained by single-crystal X-ray diffraction. Crystal data for C44H54Cl2N2O2Ti, (2a): monoclinic, space group C2/c (no. 15), a = 27.384(1) Å, b = 12.1436(8) Å, c = 28.773(2) Å, β = 112.644(2)°, V = 8830.6(9) Å3, Z = 8, μ(MoKα) = 0.350 mm-1, Dcalc = 1.146 g/cm3, 26647 reflections measured (5.204° ≤ 2Θ ≤ 50.7°), 8072 unique (Rint = 0.0967, Rsigma = 0.1241) which were used in all calculations. The final R1 was 0.0640 (I > 2σ(I)) and wR2 was 0.1907 (all data). Crystal data for C62H72Cl2N2O2Ti (2b): monoclinic, space group P21/c (no. 14), a = 19.606(1) Å, b = 12.793(1) Å, c = 23.189(2) Å, β = 105.710(4)°, V = 5599.0(7) Å3, Z = 4, μ(MoKα) = 0.291 mm-1, Dcalc = 1.182 g/cm3, 37593 reflections measured (3.65° ≤ 2Θ ≤ 50.928°), 10304 unique (Rint = 0.0866, Rsigma = 0.1032) which were used in all calculations. The final R1 was 0.0593 (I > 2σ(I)) and wR2 was 0.1501 (all data). Crystal data for C67H97Al2N2O2 (4·(C7H8)): triclinic, space group P-1 (no. 2), a = 10.0619(9) Å, b = 16.612(2) Å, c = 21.308(2) Å, α = 67.193(5)°, β = 78.157(6)°, γ = 77.576(5)°, V = 3176.8(6) Å3, Z = 2, μ(MoKα) = 0.088 mm-1, Dcalc = 1.063 g/cm3, 42107 reflections measured (5.382° ≤ 2Θ ≤ 51.624°), 12111 unique (Rint = 0.0624, Rsigma = 0.0706) which were used in all calculations. The final R1 was 0.0568 (I > 2σ(I)) and wR2 was 0.1611 (all data). The solid-state molecular structure of [(L){Al(CH2CH(CH3)2)2}2] reveals that both metal centres display a slightly distorted tetrahedral geometry bridged by the salen ligand. Both [(L)TiCl2] and [(L)ZrCl2] complexes display octahedral geometry with trans-chlorido ligands.
Jiaxin Zhou,
European Journal of Chemistry, Volume 12, pp 165-167; doi:10.5155/eurjchem.12.2.165-167.2082

Abstract:
Assembly of small building blocks such as atoms, molecules, nanoparticles, and microparticles into macroscopic structures has opened up new and exciting opportunities in the realm of nanotechnology and microtechnology. Here, we report a simple hydrothermal approach for assembling chromic hydroxide microscopic particles into three-dimensional chromic hydroxide with cylindrical morphology. The morphology and size as prepared samples are controlled by the concentration of Cr(NO3)3. Our approach provides a reliable way to successfully assemble various other types of particles into cylindrical macrostructures, realizing the shape engineering of nanoscale and microscale structures to macroscopic well-defined architectures for further applications.
, Venugopal Thanikachalam
European Journal of Chemistry, Volume 12, pp 133-146; doi:10.5155/eurjchem.12.2.133-146.2073

Abstract:
Synthesis of 3-(1-((benzoyloxy)imino)ethyl)-2H-chromen-2-ones (1-5) was accomplished and it was characterized experimentally using various analytical techniques. Computational studies have been carried out for all compounds 1-5 using B3LYP method with 6-311++G(d,p) basis set. The optimized structural features viz. bond lengths, bond angles, and dihedral angles are compared with their single-crystal X-ray diffraction results of compound 1 (Crystal data for C18H13NO4 (M = 307.29 g/mol): Monoclinic, space group P21/c (no. 14), a = 11.399(5) Å, b = 5.876(5) Å, c = 21.859(5) Å, β = 91.060(5)°, V = 1463.9(14) Å3, Z = 4, T = 293(2) K, μ(MoKα) = 0.100 mm-1, Dcalc = 1.394 g/cm3, 13555 reflections measured (3.58° ≤ 2Θ ≤ 56.98°), 3669 unique (Rint = 0.0235) which were used in all calculations. The final R1 was 0.0444 (>2sigma(I)) and wR2 was 0.1506 (all data)), which are in good conformity with each other. Normal modes of vibrational frequencies of compounds 1-5 acquired from density-functional theory (DFT) method coincided with the experimental ones. The 1H and 13C chemical shifts of compounds 1-5 have been calculated by GIAO method and the results have been compared with the experimental ones. The first-order hyperpolarizability and their related properties of the novel molecules 1-5 are calculated computationally. The other parameters like natural bond orbital, zero-point vibrational energy, EHOMO, ELUMO, heat capacity and entropy have also been discussed.
, Feng Li
European Journal of Chemistry, Volume 12, pp 117-123; doi:10.5155/eurjchem.12.2.117-123.2079

Abstract:
In this study, it was discovered for the first time that the BiOBr/Bi3.84W0.16O6.24 catalyst can efficiently degrade sulfadiazine (SDZ). Multiple techniques, such as X-ray diffraction (XRD), scanning electron microscopy (SEM), and UV-Vis diffuse reflection spectroscopy (DRS) were applied to research the structures, morphology and photocatalytic properties of as-prepared samples. In addition, the effect of different synthesis pH environment and initial SDZ solution pH on the catalyst degradation efficiency were discussed. The BiOBr/Bi3.84W0.16O6.24 catalyst synthesized under the condition of pH = 7 exhibited excellent photocatalytic activity for photodegradation of SDZ of 91% within 120 min under simulated solar light irradiation. Also, the roles of the radical species have been studied, and the ·O2- and h+ were proved to dominate the photocatalytic process. Based on the experimental results, the photocatalytic mechanism was proposed.
Moussa Faye, , , Moussa Dieng,
European Journal of Chemistry, Volume 12, pp 159-164; doi:10.5155/eurjchem.12.2.159-164.2074

Abstract:
Complexes of Co(II), [Co(C26H24N8O2)]·(ClO4)2·(H2O)2 (1), and Cu(II), [Cu(C26H23N8O2)]·(ClO4) (2), have been synthesized. The prepared two compounds were characterized by elemental analysis, infrared and their structures were determined by single-crystal X-ray diffraction. The compound 1 crystallizes in the triclinic space group P-1 with the following unit cell parameters: a = 8.880 (5) Å, b = 10.529 (5) Å, c = 18.430 (5) Å, α = 99.407 (5)°, β = 102.174 (5)°, γ = 100.652 (5)°, V = 1618.2 (13) Å3, Z = 2, T = 293(2), μ(MoKα) = 0.77 mm-1, Dcalc = 1.582 g/cm3, 16135 reflections measured (5.050° ≤ 2q ≤ 59.152°), 7648 unique, Rint = 0.034 which were used in all calculations. The final R1 was 0.066 (I ≥ 2σ(I)) and wR2 was 0.22 (all data). The compound 2 crystallizes in the monoclinic space group P21/c with the following unit cell parameters : a = 11.652 (5) Å, b = 16.540 (5) Å, c = 14.512 (5) Å, β = 93.495 (5)°, V = 2791.6 (18) Å3, Z = 4, T = 293(2), μ(MoKα) = 1.05 mm-1, Dcalc = 1.768 g/cm3, 15592 reflections measured (5.624° ≤ 2θ ≤ 58.804°), 6630 unique, Rint = 0.025 which were used in all calculations. The final R1 was 0.050 (I ≥ 2σ(I)) and wR2 was 0.144 (all data). In both complexes, the ligand acts in a tridentate fashion. In the structure of the mononuclear complex 1, the Co(II) cation is coordinated by two ligand molecules. The basal plane around the Co(II) cation is occupied by two pyridine nitrogen atoms and two carbonyl oxygen atoms. Two imino nitrogen atoms occupy the apical positions of the distorted square-pyramidal geometry. The mononuclear 2 consists of a Cu(II) coordinated by one ligand and one monodeprotonated ligand molecule. The metal center lies in a distorted square bipyramidal environment. The basal plane around the Cu(II) is occupied by two pyridine nitrogen atoms and two carbonyl oxygen atoms, the apical position being occupied by the two imino nitrogen atoms.
European Journal of Chemistry, Volume 12, pp 197-203; doi:10.5155/eurjchem.12.2.197-203.2092

Abstract:
The crystal structure of La2Mg17-xSnx solid solution was determined by single crystal X-ray diffraction for the first time. This phase crystallizes in hexagonal symmetry with space group P63/mmc (a = 10.3911(3), c = 10.2702(3) Å, V = 960.36(6) Å3, R1 = 0.0180, wR2 = 0.0443 for the composition La3.65Mg30Sn1.10) and is related to the structure of CeMg10.3 and Th2Ni17-types which are derivative from the CaCu5-type. A series of isotypical solid solutions La2Mg17-xMx (M = Ni, Sn, Sb, x ~0.8) was synthesized and studied by X-ray powder diffraction, energy dispersive X-ray spectroscopy and fluorescent X-ray spectroscopy. All solid solutions crystallize with the structure related to the Th2Ni17-type. The electrochemical hydrogenation confirmed the similar electrochemical behavior of all studied alloys. The amount of deintercalated hydrogen depends on the physical and chemical characteristics of doping elements and increases in the sequence Sn < Mg < Sb < Ni. The most geometrically advantageous sites are octahedral voids 6h of the initial structure, thus a coordination polyhedron for H-atom is an octahedron [HLa2(Mg,M)4].
Kikuko Iida, Rei Sakamoto, Kun Li, , , ,
European Journal of Chemistry, Volume 12, pp 147-153; doi:10.5155/eurjchem.12.2.147-153.2114

Abstract:
The title compound lies about a crystallographic inversion centre located at the terephthalate moiety. The two peri-benzoylnaphthalene units having atrope chirality are also situated centrosymmetrically. In the two peri-benzoylnaphthalene moieties, two benzoyl groups are substituted at 1 and 8 carbons of the naphthalene ring in anti-orientation. Then two absolute configurations of peri-benzoylnaphthalene moieties are consequently assigned as complementary to each other, i.e., one unit has R,R-configuration and the other S,S-one, respectively. The two benzoyl groups in peri-benzoylnaphthalene moiety and the terephthalate phenylene ring are non-coplanarly located against the naphthalene ring. The dihedral angles of each benzene ring of two benzoyl groups and terephthalate unit with the naphthalene ring are 73.73 and 75.96, and 71.79°. In molecular packing, several kinds of weak interactions are responsible to induce three-dimensional molecular network. Especially, the synergetic effect realized through the bidentate hydrogen acceptor function in bidirectional C-H···π non-classical hydrogen bonds by the terephthalate phenylene ring moiety plausibly plays the determining role.
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