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101.
Calvo R Rapp RE Chagas E Sartoris RP Baggio R Garland MT Perec M 《Inorganic chemistry》2008,47(22):10389-10397
Three isostructural Cu 2Ln 2 1-D polymers [Cu 2Ln 2L 10(H 2O) 4.3H 2O] n where Ln = Gd ( 1), Er ( 2), and Y ( 3) and HL= trans-2-butenoic acid, were synthesized and characterized by X-ray crystallography, electron paramagnetic resonance, and magnetic measurements. Pairs of alternate Cu 2 and Ln 2 dinuclear units are combined into a linear array by a set of one covalent eta (2):eta (1):mu 2 carboxylate oxygen and two H bonds, at Cu...Ln distances of ca. 4.5 A. These units exhibit four eta (1):eta (1):mu 2 and two eta (2):eta (1):mu 2 carboxylate bridges, respectively. Magnetic measurements between 2 and 300 K, fields B 0 = mu 0 H between 0 and 9 T, and electron paramagnetic resonance (EPR) measurements at the X-band and room temperature are reported. The magnetic susceptibilities indicate bulk antiferromagnetic behavior of the three compounds at low temperatures. Magnetization and EPR data for 1 and 3 allowed evaluation of the exchange couplings between both Cu and Gd ions in their dinuclear units and between Cu and Gd neighbor ions in the spin chains. The data for the isolated Cu 2 units in 3 yield g || = 2.350 and g [symbol: see text] = 2.054, J Cu-Cu = -338 (3) cm (-1) for the exchange coupling [ H ex(1,2) = - J 1-2 S1 x S2], and D 0 = -0.342 (0.003) cm (-1) and E 0 = 0.003 (0.001) cm (-1) for the zero-field-splitting parameters of the triplet state arising from anisotropic spin-spin interactions. Considering tetranuclear blocks Gd-Cu-Cu-Gd in 1, with the parameters for the Cu 2 unit obtained for 3, we evaluated ferromagnetic interactions between Cu and Gd neighbors, J Cu-Gd = 13.0 (0.1) cm (-1), and between Gd ions in the Gd 2 units, J Gd-Gd = 0.25 (0.02) cm (-1), with g Gd = 1.991. The bulk antiferromagnetic behavior of 1 is a consequence of the antiferromagnetic coupling between Cu ions and of the magnitude, |J Cu-Gd|, of the Cu-Gd exchange coupling. Compound 2 displays a susceptibility peak at 15 K that may be interpreted as the combined result from antiferromagnetic couplings between Er (III) ions in Er 2 units and their coupling with the Cu 2 units. 相似文献
102.
Ana María Atria Gino Corsini Lissette González Maria Teresa Garland Ricardo Baggio 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(7):m241-m245
catena-Poly[[tetraaquabis(1H-pyrazole-κN2)nickel(II)] [[diaquabis(1H-pyrazole-κN2)nickel(II)]-μ-benzene-1,2,4,5-tetracarboxylato-κ2O1:O4] tetrahydrate], {[Ni(C3H4N2)2(H2O)4][Ni(C10H2O8)(C3H4N2)2(H2O)2]·4H2O}n, (I), and poly[[(μ4-benzene-1,2,4,5-tetracarboxylato-κ4O1:O2:O4:O5)octakis(1H-pyrazole-κN2)dicobalt(II)] tetrahydrate], {[Co2(C10H2O8)(C3H4N2)8]·4H2O}n, (II), are polymeric compounds crystallizing in the space group P, with two independent metallic cations and one benzene-1,2,4,5-tetracarboxylate (btc) anion, each lying on symmetry centres. Individual coordination polyhedra are regular and the main differences are in the way the btc anion binds [μ2 in (I) and μ4 in (II)], promoting a `chain-like' one-dimensional structure in (I) and a `sieve-like' two-dimensional motif in (II). 相似文献
103.
Juan Carlos Muoz Ana María Atria Maria Teresa Garland Ricardo Baggio 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(3):m121-m127
The structures of three new polymeric lanthanide complexes, poly[[bis(2,2′‐bipyridine)‐μ4‐itaconato‐di‐μ3‐itaconato‐digadolinium(III)] tetrahydrate], {[Gd2(C5H4O4)3(C10H8N2)2]·4H2O}n, (I), poly[diaqua(2,2′‐bipyridine)di‐μ3‐itaconato‐μ2‐itaconato‐digadolinium(III)], [Gd2(C5H4O4)3(C10H8N2)(H2O)2]n, (II), and poly[[bis(2,2′‐bipyridine)‐μ4‐itaconato‐di‐μ3‐itaconato‐diholmium(III)] dihydrate], {[Ho2(C5H4O4)3(C10H8N2)2]·2H2O}n, (III), have been solved from twinned specimens. Compound (I) presents a two‐dimensional polymeric structure parallel to (011) built up around two independent nine‐coordinated Gd centres displaying similar GdO7N2 environments, with both N‐donor atoms in each provided by a chelating 2,2′‐bipyridine (bpy) unit. The coordinating O atoms are from three different itaconate (ita) anions (itaconic acid is 2‐methylidenebutanedioic acid). Compound (II) also presents two independent Gd centres (one ten‐ and the other eight‐coordinated), but the overall formula and individual coordinations are different from those of (I). The chemical unit is in this case completed by one bpy ligand, three ita anions (one of them displaying a new, hitherto unreported, μ3‐O,O′:O′,O′′:O′′′ binding mode) and two aqua ligands. The whole structure is built up around a twofold rotation axis passing through both cations, as well as through the centre of the bpy ligand and one of the ita anions, thus making only half of the chemical unit independent. Finally, compound (III) presents a single independent Ho centre, a bpy unit and one and a half ita anions (one of them bisected by a twofold rotation axis) in the asymmetric unit, plus two (disordered) nonbonded solvent water molecules. In compounds (II) and (III), those ita anions bisected by a symmetry element incompatible with the internal symmetry of the ligand exhibit disorder in the C=CH2 group. 相似文献
104.
105.
V.P. Nascimento E.C. Passamani A. Biondo E. Baggio Saitovitch 《Applied Surface Science》2008,254(7):2114-2119
X-ray reflectivity analyses were performed in the Si/WTi (7 nm)/NiFe (30 nm)/FeMn (13 nm)/NiFe (10 nm)/WTi (7 nm) exchange-biased system prepared by magnetron sputtering under three different argon working pressures. Layer-by-layer analyses were realized in order to obtain the interfacial roughness parameters quantitatively. For a fixed argon pressure, the root-mean-square roughness (including the atomic grading) of the upper (FeMn/NiFe) interface are greater than that for the lower one in all studied samples. Argon working pressure also has severe influence over the NiFe/FeMn interfaces, being more pronounced at the upper interfaces. 相似文献
106.
Miguel A. Harvey María E. Díaz de Vivar María T. Garland Sergio Baggio 《Journal of chemical crystallography》2011,41(2):155-158
Abstract
The title compound is monomeric with a Ni(II) hexacoordinated center. The coordination sphere is formed with four nitrogens from two neocuproine molecules and two oxygens from a sulfate ion that acts as a bidentate ligand. A water molecule completes the formula with an important role in the stabilization of the structure through the formation of OW–H···OS bridges, in which it acts as a donor and interactions of the type Car–H···OW and CMet–H···OW, where it is an acceptor group (W: water; S: sulfate; ar: arene; Met: methyl). The compound is monoclinic, space group P21 /c with a = 14.4829(4) ?, b = 14.4563(4) ?, c = 12.1559(3) ?, β = 94.407(1)°, V = 2,537.55(12) ?3 and Z = 4. The structure was solved by direct methods with a conventional R (on F) = 0.0359 for 4841 reflexions with Fo > 4σ(Fo). Three levels of super-structural hierarchy can be identified in the crystal construction: (1) the primary structure corresponding to the molecular skeletons of their building blocks, the isolated complex itself and the water molecule, (2) an 1D supramolecular array that form chains through a non-covalent polymerization via interactions OW–H···OS, Car–H···OW, Car–H···OS and CMet–H···OW and (3) finally the 3D macroscopic conglomerate formed through inter-chains interactions Car–H···OW, Car–H···OS, CMet–H···ar and offset stacked arene–arene. 相似文献107.
Juan Granifo Rubn Gavio Eleonora Freire Ricardo Baggio 《Acta Crystallographica. Section C, Structural Chemistry》2012,68(10):m269-m274
The Zn complexes bis(acetylacetonato‐κ2O,O′)bis{4′‐[4‐(methylsulfanyl)phenyl]‐4,2′:6′,4′′‐terpyridine‐κN1}zinc(II), [Zn(C5H7O2)2(C22H17N3S)2], (I), and {μ‐4′‐[4‐(methylsulfanyl)phenyl]‐4,2′:6′,4′′‐terpyridine‐κ2N1:N1′′}bis[bis(acetylacetonato‐κ2O,O′)zinc(II)], [Zn2(C5H7O2)4(C22H17N3S)], (II), are discrete entities with different nuclearities. Compound (I) consists of two centrosymmetrically related monodentate 4′‐[4‐(methylsulfanyl)phenyl]‐4,2′:6′,4′′‐terpyridine (L1) ligands binding to one ZnII atom sitting on an inversion centre and two centrosymmetrically related chelating acetylacetonate (acac) groups which bind via carbonyl O‐atom donors, giving an N2O4 octahedral environment for ZnII. Compound (II), however, consists of a bis‐monodentate L1 ligand bridging two ZnII atoms from two different Zn(acac)2 fragments. Intra‐ and intermolecular interactions are weak, mainly of the C—H...π and π–π types, mediating similar layered structures. In contrast to related structures in the literature, sulfur‐mediated nonbonding interactions in (II) do not seem to have any significant influence on the supramolecular structure. 相似文献
108.
Eleonora Freire Sergio Baggio Maria Teresa Garland Ricardo Baggio 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(12):1403-1404
The structure of the title compound, [Mn(tpy)2](S4O6)·3H2O (tpy is 2,2′:6′,2′′-terpyridine, C15H11N3), consists of monomeric [Mn(tpy)2]2+ units embedded in a complex anionic network made up of tetrathionate ions and hydration water molecules connected via a complex hydrogen-bonding scheme. 相似文献
109.
Miguel Angel Harvey Sergio Baggio Andrs Ibaez Ricardo Baggio 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):m382-m385
Two differently hydrated crystal forms of the title compound, viz. bis(acetato‐κ2O,O′)(2,9‐dimethyl‐1,10‐phenanthroline‐κ2N,N′)mercury(II), [Hg(C2H3O2)2(C14H12N2)] or [HgAc2(dmph)] [dmph is 2,3‐dimethyl‐1,10‐phenantroline (neocuproine) and Ac is acetate], (I), and tris[bis(acetato‐κ2O,O′)(2,9‐dimethyl‐1,10‐phenanthroline‐κ2N,N′)mercury(II)] hexadecahydrate, [Hg(C2H3O2)2(C14H12N2)]3·16H2O or [HgAc2(dmph)]3·16H2O, (II), are presented. Both structures are composed of very simple monomeric units, which act as the building blocks of complex packing schemes stabilized by a diversity of π–π and hydrogen‐bonding interactions. 相似文献
110.