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41.
Abstract
The reaction of [Ni(L)]Cl2·2H2O (L = 3,14-dimethyl-2,6,13,17-tetraazatricyclo[14,4,01.18,07.12]docosane) with pyrazine-2-carboxylic acid (H-pyc) yields mononuclear nickel(II) complex, [Ni(L)(pyc)2]·2H2O (1). This complex has been characterized by X-ray crystallography, electronic absorption and cyclic voltammetry. The crystal structure of 1 exhibits a distorted octahedral geometry with four nitrogen atoms of the macrocycle and two pyrazine-2-carboxylate ligands. It crystallizes in the triclinic system P-1 with a = 9.6643(17), b = 10.116(3), c = 16.99(4) ?, V = 1633(3) ?3, Z = 2. Electronic spectrum of 1 also reveals a high-spin octahedral environment. Cyclic voltammetry of 1 undergoes two waves of a one-electron transfer corresponding to NiII/NiIII and NiII/NiI processes. 相似文献42.
Ki-Young Choi In-Tack Lim Chul-Kang Kim 《Journal of inclusion phenomena and macrocyclic chemistry》2013,75(3-4):263-268
Highly crosslinked polymeric networks formed by cyclodextrins (CD) have recently been shown to be highly versatile nanosponge systems, being for instance very efficient both for drug delivery and for pollutants removal. Here we report some molecular simulation results for dry and hydrated CD nanosponge models aimed to study their swelling behavior. We also report simulation results about the water mobility in these systems in terms of the calculated diffusion coefficient of “free” and of “bound” water molecules confined within the nanosponge cavities. Furthermore, we also suggest the presence of surface-constrained water molecules temporarily bound to the network surface but eventually set free in the bulk. 相似文献
43.
KY Yoon IH Lee KO Kim J Jang E Lee TL Choi 《Journal of the American Chemical Society》2012,134(35):14291-14294
We report a direct one-pot route for the preparation of supramolecules from simple polyacetylene diblock copolymers synthesized by mild ring-opening metathesis polymerization of cyclooctatetraene. This in situ nanoparticlization of conjugated polymer (INCP) approach is advantageous over conventional self-assembly processes because this method does not require any tedious postsynthetic treatments. Also, this direct approach provides intriguing supramolecules with a unique nanostructure resembling a caterpillar. Furthermore, the new supramolecules are highly stable adducts because the polyacetylene core block provides an exceptionally strong driving force for the self-assembly. Even though pristine polyacetylene is unstable in air, the polyacetylene segment in the nanocaterpillar is very stable because it is protected within the shell of the supramolecule. 相似文献
44.
Wong K Kwon KY Rao BV Liu A Bartels L 《Journal of the American Chemical Society》2004,126(25):7762-7763
Incomplete coverages of p-fluorothiophenol, p-chlorothiophenol, and p-bromothiophenol form ordered islands on a Cu(111) surface even at low temperatures. The complexity of the molecular patterns increases from a simple (3 x 4) superlattice to a honeycomb (8 x 8)R19 degrees structure with increasing substituent electronegativity. We propose a model based on quadrupolar intermolecular interactions to account for this observation. 相似文献
45.
Ki-Young Choi 《Journal of chemical crystallography》1998,28(12):875-878
The complex [Cu(L)N3](H2O)(ClO4) (1) (L = 3,14-dimethyl-2,6,13,17-tetraazatricyclo[14,4,01.18, 07.12]docosane) has been prepared and characterized by X-ray crystallography. 1 crystallizes in the monoclinic space group P21/c, with a = 8.907(5), b = 20.036(3), c = 14.773(2) Å, = 103.78(2)°, V = 2560.6(15) Å3, and Z = 4. The coordination geometry around the Cu(II) ion is a distorted square-pyramidal with four nitrogen atoms of the macrocycle and one nitrogen atom of the axial azido group. 相似文献
46.
Ghosh D Kundu N Maity G Choi KY Caneschi A Endo A Chaudhury M 《Inorganic chemistry》2004,43(19):6015-6023
Heterobinuclear copper(II)-zinc(II) complexes and their homobinuclear dicopper(II) counterparts (1-4) of two asymmetric ligands (H2L1 and H2L2), based on 2-aminocyclopent-1-ene-1-dithiocarboxylate, are reported. The ligands are capable of providing both donor set and coordination number asymmetry in tandem. Metal centers in these complexes are connected by a micro-alkoxo and a bridging pyrazolate moiety, as confirmed by X-ray structure analyses of 1, 3, and 4. The Cu(1) site in the dicopper complex (1) is square planar and so are the copper sites in the Cu-Zn complexes 3 and 4. The pentacoordinated Zn sites in the latter complexes have distorted TBP geometry (tau = 0.74), while the corresponding Cu site in 1 has a highly distorted square pyramidal structure (tau = 0.54). The Cu...Zn separations in 3 and 4 are 3.3782 and 3.3403 angstroms, respectively, while the Cu...Cu distance in 1 is 3.3687 angstroms. The dicopper complexes are EPR silent at 77 K, in which the copper(II) centers are coupled by strong antiferromagnetic coupling (J = ca. -290 cm(-1)) as confirmed by variable-temperature (4-300 K) magnetic measurements. These compounds (1 and 2) undergo two one-electron reductions and a single step two-electron oxidation at ca. -0.26, -1.40, and 1.0 V vs Ag/AgCl reference, respectively, as indicated by cyclic and differential pulse voltammetry done at subambient temperatures. EPR spectra of 3 and 4 display axial anisotropy at 77 K with the gperpendicular region being split into multiple lines due to N-superhyperfine coupling (AN = 15.3 x 10(-4) cm(-1)). The observed trend in the spin-Hamiltonian parameters, gparallel > gperpendicular > 2.04 and |Aperpendicular| < |Aparallel| approximately (120-150) x 10(-4) cm(-1), indicates a d(x2-y2)-based ground state with tetragonal site symmetry for the Cu(II) center in these molecules. 相似文献
47.
Nack-Do Sung Ki-Young Choi Han-Hyoung Lee Kyu-Chul Lee Moon-Jip Kim 《Transition Metal Chemistry》2005,30(3):273-277
The reaction of CuCl2 · 2H2O and CdCl2 with di-(2-picolyl)sulfide (dps) leads to the formation of mononuclear
copper(II) and binuclear cadmium(II) complexes, [Cu(dps)Cl2] · H2O (1) and [(dps)(Cl)CdII(μ-Cl)2CdII(Cl)(dps)] (2). The copper atom in (1) is coordinated to one sulfur and two nitrogen atoms from the dps ligand and two chlorides in a distorted square-pyramidal environment. Complex (2) has two distorted octahedra sharing the basal edge that contain the bridging chloro ligands, each of which resides at a center of inversion. Cyclic voltammetric
data show that (1) undergoes two reversible one-electron waves corresponding to CuII/CuIII and CuII/CuI processes. However, cyclic voltammetry of (2) gives two irreversible reduced waves. 相似文献
48.
Kwon KY Wang E Chung A Chang N Saiz E Choe UJ Koobatian M Lee SW 《Langmuir : the ACS journal of surfaces and colloids》2008,24(19):11063-11066
Defect sites on bone minerals play a critical role in bone remodeling processes. We investigated single crystal hydroxyapatite (100) surfaces bearing crystal defects under acidic dissolution conditions using real-time in situ atomic force microscopy. At defect sites, surface structure-dependent asymmetric hexagonal etch pits were formed, which dominated the overall dissolution rate. Meanwhile, dissolution from the flat terraces proceeded by stochastic formation of flat bottom etch pits. The resulting pit shapes were intrinsically dictated by the HAP crystal structure. Computational modeling also predicted different step energies associated with different facets of the asymmetric etch pits. Our microscopic observations of HAP dissolution are significant for understanding the effects of local surface structure on the bone mineral remodeling process and provide useful insights for the design of novel therapies for treating osteoporosis and dental caries. 相似文献
49.
Abstract These complexes have been characterized by X-ray crystallography, spectroscopic, and cyclic voltammetry. In 1, the copper(II) ion has a distorted square-pyramidal geometry with three nitrogen atoms of the dpa ligand and two oxygen
atoms of the nitrate anions. The crystal structure of 2 shows that the copper(II) ions are bridged by tp anion to form a dinuclear complex, in which each copper(II) ion exhibits
a distorted square-pyramid with three nitrogen atoms of the dpa ligand, water molecule, and the oxygen atom of the bridging
tp ligand. Cyclic voltammetric data indicate that 1 undergoes irreversible one-electron oxidation to the CuIII and reversible one-electron reduction to the CuI, while 2 gives one reversible oxidation and two reversible and irreversible reduced processes. The electronic spectra and redox potentials
of the complexes are influenced significantly by the anionic ligands.
Graphical Abstract The reaction of [Cu(dpa)Cl2] with K(NO3)2 and Na2tp yields mononuclear and dinuclear copper(II) complexes [Cu(dpa)(NO3)2] (1) and [Cu2(dpa)2(H2O)2(μ-tp)](tp)·6H2O (2) (dpa = di-(2-picolyl)amine, tp = terephthalate).
相似文献
50.
Ki-Young Choi 《Journal of chemical crystallography》2008,38(1):53-56
Abstract The tridentate Schiff base carboxylate-containing ligand 2-pyridylmethylamino-3-butyric acid (Hpaba) reacts with copper(II)
perchlorate to give the one-dimensional chain complex {[Cu(μ-paba)](ClO4)·H2O}
n
(1). The coordination geometry of each copper(II) ion is best described as a square-plane with two nitrogen atoms and one carboxylate
oxygen atom of the ligand, and one carboxylate oxygen atom belong to another ligand. It crystallizes in the monoclinic system
P21/c with a = 12.717(2), b = 7.9163(15), c = 14.981(2) ?, β = 111.14(1)°, V = 1406.8(4) ?3, Z = 4. Cyclic voltammogram of 1 undergoes the reversible one-electron oxidation to the Cu(III) and the reversible one-electron reduction to the Cu(I) state.
Graphical Abstract Crystal structure of 1 reveals a syn-anti carboxylate-bridged one dimensional chain complex in which the coordination environment around each copper(II) ion exhibits
a distorted square plane.
相似文献