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Gi Hun Seong - One of the best experts on this subject based on the ideXlab platform.
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edge directed m2 2l4 tetragonal metal organic polyhedra decorated using a square Paddle Wheel secondary building unit
Chemical Communications, 2010Co-Authors: Jaya M Prakash, Minhak Oh, Gi Hun SeongAbstract:A general strategy was developed for edge-directed self-assembly of tetragonal metal–organic polyhedra (MOPs) having a C4 symmetry CuII2(COO)4 Paddle-Wheel as a secondary building unit, using C2 symmetric dicarboxylic ligands as pincer-type primary building units.
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Edge-directed [(M2)2L4] tetragonal metal–organic polyhedra decorated using a square Paddle-Wheel secondary building unit
Chemical Communications, 2010Co-Authors: M. Jaya Prakash, Minhak Oh, Gi Hun SeongAbstract:A general strategy was developed for edge-directed self-assembly of tetragonal metal–organic polyhedra (MOPs) having a C4 symmetry CuII2(COO)4 Paddle-Wheel as a secondary building unit, using C2 symmetric dicarboxylic ligands as pincer-type primary building units.
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metal organic polyhedron based on a cuii Paddle Wheel secondary building unit at the truncated octahedron corners
Inorganic Chemistry, 2009Co-Authors: Jaya M Prakash, Seunghee Hong, Mira Park, Gi Hun SeongAbstract:A metal−organic polyhedron of truncated octahedral geometry augmented with a C4-symmetric square-planar CuII Paddle-Wheel node as a secondary building unit can be prepared using a C3-symmetric ligand that occupies the face of the octahedral cage, where the three phenyl groups containing a m-carboxylate group in the ligand provide the necessary curvature to form the finite octahedral cage.
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Metal−Organic Polyhedron Based on a CuII Paddle-Wheel Secondary Building Unit at the Truncated Octahedron Corners
Inorganic Chemistry, 2009Co-Authors: M. Jaya Prakash, Seunghee Hong, Mira Park, Gi Hun SeongAbstract:A metal−organic polyhedron of truncated octahedral geometry augmented with a C4-symmetric square-planar CuII Paddle-Wheel node as a secondary building unit can be prepared using a C3-symmetric ligand that occupies the face of the octahedral cage, where the three phenyl groups containing a m-carboxylate group in the ligand provide the necessary curvature to form the finite octahedral cage.
Packianathan Thomas Muthiah - One of the best experts on this subject based on the ideXlab platform.
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Supramolecular architecture of metal-organic frameworks involving dinuclear copper Paddle-Wheel complexes.
Acta crystallographica. Section C Crystal structure communications, 2013Co-Authors: Sundaramoorthy Gomathi, Packianathan Thomas MuthiahAbstract:The two centrosymmetric dinuclear copper Paddle-Wheel complexes tetrakis(μ-4-hydroxybenzoato-κ(2)O:O')bis[aquacopper(II)] dimethylformamide disolvate dihydrate, [Cu2(C7H5O3)4(H2O)2]·2C3H7NO·2H2O, (I), and tetrakis(μ-4-methoxybenzoato-κ(2)O:O')bis[(dimethylformamide-κO)copper(II)], [Cu2(C8H7O3)4(C3H7NO)2], (II), crystallize with half of the dinuclear Paddle-Wheel cage unit in the asymmetric unit and, in addition, complex (I) has one dimethylformamide (DMF) and one water solvent molecule in the asymmetric unit. In both (I) and (II), two Cu(II) ions are bridged by four syn,syn-η(1):η(1):μ carboxylate groups, showing a Paddle-Wheel cage-type structure with a square-pyramidal coordination geometry. The equatorial positions of (I) and (II) are occupied by the carboxylate groups of 4-hydroxy- and 4-methoxybenzoate ligands, and the axial positions are occupied by aqua and DMF ligands, respectively. The three-dimensional supramolecular metal-organic framework of (I) consists of three different R2(2)(20) and an R4(4)(36) ring motif formed via O-H···O and OW-HW···O hydrogen bonds. Complex (II) simply packs as molecular species.
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Supramolecular architecture of metal–organic frameworks involving dinuclear copper Paddle‐Wheel complexes
Acta Crystallographica Section C-crystal Structure Communications, 2013Co-Authors: Sundaramoorthy Gomathi, Packianathan Thomas MuthiahAbstract:The two centrosymmetric dinuclear copper Paddle-Wheel complexes tetrakis(μ-4-hydroxybenzoato-κ2O:O′)bis[aquacopper(II)] dimethylformamide disolvate dihydrate, [Cu2(C7H5O3)4(H2O)2]·2C3H7NO·2H2O, (I), and tetrakis(μ-4-methoxybenzoato-κ2O:O′)bis[(dimethylformamide-κO)copper(II)], [Cu2(C8H7O3)4(C3H7NO)2], (II), crystallize with half of the dinuclear Paddle-Wheel cage unit in the asymmetric unit and, in addition, complex (I) has one dimethylformamide (DMF) and one water solvent molecule in the asymmetric unit. In both (I) and (II), two CuII ions are bridged by four syn,syn-η1:η1:μ carboxylate groups, showing a Paddle-Wheel cage-type structure with a square-pyramidal coordination geometry. The equatorial positions of (I) and (II) are occupied by the carboxylate groups of 4-hydroxy- and 4-methoxybenzoate ligands, and the axial positions are occupied by aqua and DMF ligands, respectively. The three-dimensional supramolecular metal–organic framework of (I) consists of three different R22(20) and an R44(36) ring motif formed via O—H⋯O and OW—HW⋯O hydrogen bonds. Complex (II) simply packs as molecular species.
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Synthesis, characterization and X-ray structural studies of four copper (II) complexes containing dinuclear Paddle Wheel structures
Chemistry Central Journal, 2013Co-Authors: Samson Jegan Jenniefer, Packianathan Thomas MuthiahAbstract:Background Various dinuclear copper (II) complexes with octahedral geometry have been reported. The majority of these complexes contain N containing aromatic rings as axial ligands. There are also a few cases where the solvent used in the reaction occupies the axial position of the dinuclear copper (II) complex. This may occur by planned synthesis or some times by serendipity. Here we report some four copper (II) complexes containing solvent and or N containing heterocyclic ring as the axial ligand. Results Four compounds, each containing dinuclear Copper (II) units (with the most robust, frequently occurring Paddle Wheel structures) were synthesized and characterised by single crystal X-ray diffraction and by IR spectroscopy. The compounds 1 & 2 have the general formula Cu_2(RCOO) _4(L)_2 [(for (1) RCOO= 4-Chloro Benzoate, L= Isopropanol; for 2 RCOO= Benzoate, L= 2-Amino-4,6-dimethyl pyrimidine )] while 3 & 4 have the general formula, Cu_2(RCOO) _4(S)_2 Cu_2(RCOO) _4(L)_2 [RCOO=5-Chloro-thiophene-2-carboxylate L= 2-Amino-4,6-dimethyl pyrimidine, for 3 S= ethanol; for 4 S= methanol ]. A wide range of hydrogen bonds (of the O-H…O, N-H…O and N-H…N type) and π-π stacking interactions are present in the crystal structures. Conclusions All compounds contain the dinuclear units, in which two Cu (II) ions are bridged by four syn , syn -η^1:η^1:μ carboxylates, showing a Paddle-Wheel cage type with a distorted octahedral geometry. The compounds 1 & 2 contain a single dimeric unit while 3 & 4 contain two dimeric units. The structures 3 and 4 are very interesting co-crystals of two Paddle Wheel molecules. Also it is interesting to note that the compounds 3 & 4 are isostructural with similar cell parameters. Both the compounds 3 & 4 differ in the solvent molecule coordinated to copper in one of the dimeric units. In all the four compounds, each of the copper dimers has an inversion centre. Every copper has a distorted octahedral centre, formed by four oxygen atoms (from different carboxylate) in the equatorial sites. The two axial positions are occupied by copper and the corresponding ligand.
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synthesis characterization and x ray structural studies of four copper ii complexes containing dinuclear Paddle Wheel structures
Chemistry Central Journal, 2013Co-Authors: Samson Jegan Jenniefer, Packianathan Thomas MuthiahAbstract:Various dinuclear copper (II) complexes with octahedral geometry have been reported. The majority of these complexes contain N containing aromatic rings as axial ligands. There are also a few cases where the solvent used in the reaction occupies the axial position of the dinuclear copper (II) complex. This may occur by planned synthesis or some times by serendipity. Here we report some four copper (II) complexes containing solvent and or N containing heterocyclic ring as the axial ligand. Four compounds, each containing dinuclear Copper (II) units (with the most robust, frequently occurring Paddle Wheel structures) were synthesized and characterised by single crystal X-ray diffraction and by IR spectroscopy. The compounds 1 & 2 have the general formula Cu2(RCOO) 4(L)2 [(for (1) RCOO= 4-Chloro Benzoate, L= Isopropanol; for 2 RCOO= Benzoate, L= 2-Amino-4,6-dimethyl pyrimidine )] while 3 & 4 have the general formula, Cu2(RCOO) 4(S)2 Cu2(RCOO) 4(L)2 [RCOO=5-Chloro-thiophene-2-carboxylate L= 2-Amino-4,6-dimethyl pyrimidine, for 3 S= ethanol; for 4 S= methanol ]. A wide range of hydrogen bonds (of the O-H…O, N-H…O and N-H…N type) and π-π stacking interactions are present in the crystal structures. All compounds contain the dinuclear units, in which two Cu (II) ions are bridged by four syn, syn-η1:η1:μ carboxylates, showing a Paddle-Wheel cage type with a distorted octahedral geometry. The compounds 1 & 2 contain a single dimeric unit while 3 & 4 contain two dimeric units. The structures 3 and 4 are very interesting co-crystals of two Paddle Wheel molecules. Also it is interesting to note that the compounds 3 & 4 are isostructural with similar cell parameters. Both the compounds 3 & 4 differ in the solvent molecule coordinated to copper in one of the dimeric units. In all the four compounds, each of the copper dimers has an inversion centre. Every copper has a distorted octahedral centre, formed by four oxygen atoms (from different carboxylate) in the equatorial sites. The two axial positions are occupied by copper and the corresponding ligand.
Jaya M Prakash - One of the best experts on this subject based on the ideXlab platform.
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edge directed m2 2l4 tetragonal metal organic polyhedra decorated using a square Paddle Wheel secondary building unit
Chemical Communications, 2010Co-Authors: Jaya M Prakash, Minhak Oh, Gi Hun SeongAbstract:A general strategy was developed for edge-directed self-assembly of tetragonal metal–organic polyhedra (MOPs) having a C4 symmetry CuII2(COO)4 Paddle-Wheel as a secondary building unit, using C2 symmetric dicarboxylic ligands as pincer-type primary building units.
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metal organic polyhedron based on a cuii Paddle Wheel secondary building unit at the truncated octahedron corners
Inorganic Chemistry, 2009Co-Authors: Jaya M Prakash, Seunghee Hong, Mira Park, Gi Hun SeongAbstract:A metal−organic polyhedron of truncated octahedral geometry augmented with a C4-symmetric square-planar CuII Paddle-Wheel node as a secondary building unit can be prepared using a C3-symmetric ligand that occupies the face of the octahedral cage, where the three phenyl groups containing a m-carboxylate group in the ligand provide the necessary curvature to form the finite octahedral cage.
Aron Walsh - One of the best experts on this subject based on the ideXlab platform.
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Ligand engineering in Cu(ii) Paddle Wheel metal–organic frameworks for enhanced semiconductivity
Journal of Materials Chemistry, 2020Co-Authors: Matthias J. Golomb, Joaquín Calbo, Jessica K. Bristow, Aron WalshAbstract:We report the electronic structure of two metal–organic frameworks with copper Paddle Wheel nodes connected by a ligand with accessible nitrogen lone pairs. Our study highlights DMOF-1 as a potential semiconductor.
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ligand engineering in cu ii Paddle Wheel metal organic frameworks for enhanced semiconductivity
Journal of Materials Chemistry, 2020Co-Authors: Matthias J. Golomb, Joaquín Calbo, Jessica K. Bristow, Aron WalshAbstract:We report the electronic structure of two metal–organic frameworks (MOFs) with copper Paddle Wheel nodes connected by a N2(C2H4)3 (DABCO) ligand with accessible nitrogen lone pairs. The coordination is predicted, from first-principles density functional theory, to enable electronic pathways that could facilitate charge carrier mobility. Calculated frontier crystal orbitals indicate extended electronic communication in DMOF-1, but not in MOF-649. This feature is confirmed by band structure calculations and effective masses of the valence band edge. We explain the origin of the frontier orbitals of both MOFs based on the energy and symmetry alignment of the underlying building blocks. The effects of isovalent substitution on the band structure of MOF-649 are considered. Our findings highlight DMOF-1 as a potential semiconductor with enhanced 1D charge carrier mobility along the framework.
Omar M. Yaghi - One of the best experts on this subject based on the ideXlab platform.
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porous metal organic truncated octahedron constructed from Paddle Wheel squares and terthiophene links
Journal of the American Chemical Society, 2005Co-Authors: Zheng Ni, Abderrahim Yassar, Tarek Antoun, Omar M. YaghiAbstract:A metal−organic truncated octahedron (termed MOP-28) has been constructed from six rigid square-shaped Cu2(CO2)4 Paddle-Wheel building units and twelve 2,2‘:5‘,2‘ ‘-terthiophene-5,5‘ ‘-dicarboxylate (TTDC) linkers. TTDC linker in the cis,cis conformation provides the critical 90° linkage for this unique construction. The porous structure of MOP-28 is maintained even after the removal of guest species, as evidenced by this compound's nitrogen sorption isotherm of Type I characteristics and unprecedented surface area (Langmuir surface area 1100 m2/g, BET surface area 914 m2/g) among materials composed of discrete molecules.
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1 4 benzenedicarboxylate derivatives as links in the design of Paddle Wheel units and metal organic frameworks
Chemical Communications, 2001Co-Authors: Matthew E. Braun, Cory Steffek, Paul G. Rasmussen, Omar M. YaghiAbstract:The square grid structure of MOF-2, constructed from Paddle-Wheel units of Zn(II) and 1,4-benzenedicarboxylate (BDC) links, persists for 2-amino-1,4-benzenedicarboxylate (ABDC) links but not for the sterically demanding 2,3,5,6-tetramethyl-1,4-benzenedicarboxylate (TBDC); the dihedral angle between planes of the benzene and carboxylate groups play a determining role in the formation of the Paddle-Wheel motif.
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1,4-Benzenedicarboxylate derivatives as links in the design of Paddle-Wheel units and metal–organic frameworks
Chemical Communications, 2001Co-Authors: Matthew E. Braun, Cory Steffek, Paul G. Rasmussen, Omar M. YaghiAbstract:The square grid structure of MOF-2, constructed from Paddle-Wheel units of Zn(II) and 1,4-benzenedicarboxylate (BDC) links, persists for 2-amino-1,4-benzenedicarboxylate (ABDC) links but not for the sterically demanding 2,3,5,6-tetramethyl-1,4-benzenedicarboxylate (TBDC); the dihedral angle between planes of the benzene and carboxylate groups play a determining role in the formation of the Paddle-Wheel motif.
