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M. Salah El Fallah

Bio: M. Salah El Fallah is an academic researcher from University of Barcelona. The author has contributed to research in topics: Magnetic susceptibility & Schiff base. The author has an hindex of 31, co-authored 76 publications receiving 2765 citations. Previous affiliations of M. Salah El Fallah include University of Florence & Indian Institute of Technology Kanpur.


Papers
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TL;DR: Tridentate/tetradentate Schiff base ligands L(1) and L(2), derived from the condensation of o-vanillin or pyridine-2-aldehyde with N,N-dimethylethylenediammine, react with nickel acetate or perchlorate salt and azide, cyanate, or thiocyanate to give rise to a series of dinuclear complexes.
Abstract: Tridentate/tetradentate Schiff base ligands L1 and L2, derived from the condensation of o-vanillin or pyridine-2-aldehyde with N,N-dimethylethylenediammine, react with nickel acetate or perchlorate salt and azide, cyanate, or thiocyanate to give rise to a series of dinuclear complexes of formulas [Ni(L1)(μ1,1-N3)Ni(L1)(N3)(OH2)]·H2O (1), {[Ni(L1)(μ1,1-NCS)Ni(L1)(NCS)(OH2)][Ni(L1)(μ-CH3COO)Ni(L1)( NCS) (OH2)]} (2) {[2A][2B]}, [Ni(L1)(μ1,1-NCO)Ni(L1)(NCO)(OH2)]·H2O (3), and [Ni(L2-OMe)(μ1,1-N3)(N3)]2 (4), where L1 = Me2N(CH2)2NCHC6H3(O-)(OCH3) and L2 = Me2N(CH2)2NCHC6H3N. We have characterized these complexes by analytical, spectroscopic, and variable-temperature magnetic susceptibility measurements. The coordination geometry around all of the Ni(II) centers is a distorted octahedron with bridging azide, thiocyanate/acetate, or cyanate in a μ1,1 mode and μ2-phenolate oxygen ion for 1−3, respectively, or with a double-bridging azide for 4. The magnetic properties of the complexes were studied by magnetic sus...

177 citations

Journal ArticleDOI
TL;DR: In this article, two new monodimensional (μ-azido)nickel(II) complexes of formulas catena-(μ-N 3 )[Ni(232-tet)](ClO 4 ) (1) and catena(μ-Ni(323tet) [Ni(3-aminoethyl)-1,3-propanediamine (1,2-ethanediamine, respectively) have been synthesized and characterized.
Abstract: Two new monodimensional (μ-azido)nickel(II) complexes of formulas catena-(μ-N 3 )[Ni(232-tet)](ClO 4 ) (1) and catena-(μ-N 3 )[Ni(323-tet)](ClO 4 ) (2) have been synthesized and characterized. 232-tet and 323-tet are tetraamines N,N'-bis(2-aminoethyl)-1,3-propanediamine and N,N'-bis(3-aminopropyl)-1,2-ethanediamine, respectively. The crystal structures of 1 and 2 have been solved. The complex [C 7 H 20 N 7 Ni] n (ClO 4 ) n ) (1) crystallizes in the monoclinic system, space group P2 1 /a, with fw=360.44, a=11.806 (3) A, b=13.154(3) A, c=9.598(2) A, β=97.90(2) o , V=1476(1) A 3 , Z=4, R=0.045, and R w =0.055

125 citations

Journal ArticleDOI
TL;DR: In this paper, the tetraamine N,N'-bis(3-aminopropyl)-1,3-propanediamine has been synthesized and charactcrizcd.
Abstract: The compounds trans-[Ni(333-tet)(μ-N 3 )] n (ClO 4 ) n (1) and cis-[Ni(333-tet)(μ-N 3 the tetraamine N,N'-bis(3-aminopropyl)-1,3-propanediamine have been synthesized and charactcrizcd. 1 crystallizes in the triclinic system, space group P1, with fw=388.50, a=8.765 (1) A, b=8.976 (1) A, c=11.995 (2) A, α=106.65(1) o , β=110.06(1) o , V=842.0(2) A 3 , Z=2, R=0.047, and R w =0.130. The nickel atom is placed in an octahedral environment with the bridging azido groups in a trans arrangement

117 citations

Journal ArticleDOI
TL;DR: Thermogravimetric analysis, infrared,X-ray powder diffraction studies, and X-ray crystallography were performed to characterize this compound, which was subjected to variable-temperature magnetic studies.
Abstract: 4-Hydroxypyridine-2,6-dicarboxylic acid (chelidamic acid, cdaH2) reacts with Mn(OAc)2·4H2O to form a 1D staircase structure with dimeric Mn(II) units connected by water clusters to form a 3D framework, {[Mn2(cda)2·4H2O]·4H2O}n, 1, in aqueous pyridine at room temperature. The compound crystallizes in the triclinic space group P1 with a = 9.495(3), b =10.733(5), c = 11.065(4) A, α = 87.42(5), β = 74.14(5), γ = 80.07(2)°, U = 1068.5(9) A3, Z = 2, ρcalcd = 1.915 g cm-3, T = 100 K, μ = 1.28 mm-1, R1 = 0.0453 (I > 2σ(I)), wR2 = 0.1046, GOOF = 1.282. Upon removal of the water molecules by heating, the 3D structure breaks down. Thermogravimetric analysis, infrared, X-ray powder diffraction studies, and X-ray crystallography were performed to characterize this compound. Since the coordination polymer has diaqua-bridged Mn(II) centers, it was subjected to variable-temperature magnetic studies.

115 citations


Cited by
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TL;DR: Jaguar as mentioned in this paper is an ab initio quantum chemical program that specializes in fast electronic structure predictions for molecular systems of medium and large size, such as density functional theory (DFT) and local second-order Moller-Plesset perturbation theory.
Abstract: Jaguar is an ab initio quantum chemical program that specializes in fast electronic structure predictions for molecular systems of medium and large size. Jaguar focuses on computational methods with reasonable computational scaling with the size of the system, such as density functional theory (DFT) and local second-order Moller–Plesset perturbation theory. The favorable scaling of the methods and the high efficiency of the program make it possible to conduct routine computations involving several thousand molecular orbitals. This performance is achieved through a utilization of the pseudospectral approximation and several levels of parallelization. The speed advantages are beneficial for applying Jaguar in biomolecular computational modeling. Additionally, owing to its superior wave function guess for transition-metal-containing systems, Jaguar finds applications in inorganic and bioinorganic chemistry. The emphasis on larger systems and transition metal elements paves the way toward developing Jaguar for its use in materials science modeling. The article describes the historical and new features of Jaguar, such as improved parallelization of many modules, innovations in ab initio pKa prediction, and new semiempirical corrections for nondynamic correlation errors in DFT. Jaguar applications in drug discovery, materials science, force field parameterization, and other areas of computational research are reviewed. Timing benchmarks and other results obtained from the most recent Jaguar code are provided. The article concludes with a discussion of challenges and directions for future development of the program. © 2013 Wiley Periodicals, Inc.

1,307 citations

Journal ArticleDOI
TL;DR: The properties of Ladderlike Chains, and the role of Metal Cluster As Building Blocks for 1D CP 718, are described.
Abstract: 2.4.2. Interpenetrated Ladders 711 2.4.3. Unusual Motifs of Ladders 713 2.4.4. Properties of Ladderlike Chains 713 2.5. Rotaxane Polymers 714 2.5.1. 1D Polyrotaxanes 714 2.5.2. 2D Polyrotaxanes 715 2.5.3. 3D Polyrotaxanes 716 2.5.4. Hydrogen-Bonded Polyrotaxanes 716 2.6. Ribbon/Tape Polymers 717 2.7. Metal Cluster As Building Blocks for 1D CP 718 2.7.1. Metal Carboxylate Clusters 718 2.7.2. Metal Halide Clusters 719 2.7.3. Metal Chalcogenide Clusters 720 2.7.4. Polyoxometalate Clusters 721 2.7.5. Single Molecular Magnets as Building Blocks 722

967 citations

Journal ArticleDOI
TL;DR: A composite made from the assembly of graphene oxide (GO) and copper-centered metal organic framework (MOF) shows good performance as a tri-functional catalyst in three important electrocatalysis reactions, namely: the hydrogen evolution reaction (HER), oxygen evolution reaction, and oxygen reduction reaction (ORR) as discussed by the authors.
Abstract: A composite made from the assembly of graphene oxide (GO) and copper-centered metal organic framework (MOF) shows good performance as a tri-functional catalyst in three important electrocatalysis reactions, namely: the hydrogen evolution reaction (HER), oxygen evolution reaction (OER), and oxygen reduction reaction (ORR). One of the challenges in the area of electrocatalysis is to find an effective catalyst that will reduce, as well as generate, oxygen at moderate temperatures. The enhanced electrocatalytic properties and stability in acid of the GO-MOF composite is due to the unqiue porous scaffold structure, improved charge transport and synergistic interactions between the GO and MOF. In polymer electrolyte membrane fuel cell testing, the GO-incorporated Cu-MOF composite delivers a power density that is 76% that of the commercial Pt catalyst.

808 citations

Journal ArticleDOI
TL;DR: In this paper, a review of polynuclear Ni II and Mn II azido bridging complexes is presented, where magneto-structural correlations are made from a large number of known structures.

782 citations

Journal ArticleDOI
TL;DR: The 10th edition of CrystEngComm as mentioned in this paper highlighted the state-of-the-art of crystal engineering and new trends and developing areas in crystal engineering, such as intermolecular interactions, metal-organic frameworks or coordination polymers; polymorphism and solvates.
Abstract: The articles published in the tenth anniversary issue of CrystEngComm are reviewed. The issue highlighted the state-of-the-art of crystal engineering and new trends and developing areas in crystal engineering. In particular, the following article emphasises developments in the areas of intermolecular interactions, notably hydrogen and halogen bonds; metal–organic frameworks or coordination polymers; polymorphism and solvates.

674 citations