17 results on '"Magnetic behaviour"'
Search Results
2. LiKCuP2O7: Cation substitution application with mixed-alkaline copper-containing pyrophosphate and magnetic properties.
- Author
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Zheng, Juanjuan, Abudoureheman, Maierhaba, Wang, Peng, Yalikun, Alimujiang, Wei, Bo, Chen, Zhaohui, Sun, Lin, and Zhang, Jun
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MAGNETIC properties , *PYROPHOSPHATES , *MAGNETIC susceptibility , *MAGNETIC measurements , *INFRARED spectroscopy , *CATIONS , *ALKALI metals - Abstract
LiKCuP 2 O 7 compounds were obtained by high temperature solid phase method. The crystal structure, thermal behavior, infrared spectroscopy, and magnetic behavior are discussed. [Display omitted] • The 3D framework of LiKCuP 2 O 7 consists of [CuP 2 O 7 ]2- layers, with Li+ and K+ cations filling between the layers. • Magnetic susceptibility measurements over a wide temperature range suggest that the compound is antiferromagnetic. • The structure comparison of the A–Cu–P–O system and the effect of cation size on its structures have been discussed. By the application of cation substitution with a site in A–Cu–P–O (A = alkali or mixed-alkali metals) system, a mixed-alkaline metal copper-containing phosphate LiKCuP 2 O 7 has been obtained. Single crystal X-ray diffraction analysis shows that LiKCuP 2 O 7 belongs to the P 2 1 / c space group and features a three-dimensional (3D) network constructed by LiO 4 , KO 9 , CuO 5 , P 2 O 7 units. Interestingly, the CuO 5 polyhedra are interlinked with P 2 O 7 units via vertex-sharing O atoms to form two-dimensional (2D) layers, where the Li+, K+ cations reside. In order to understanding the influence of cation size on the 3D networks as well as different dimensions of Cu–P–O frameworks, the structure comparisons in the A–Cu–P–O system have been discussed in detailed. Thermal behavior and infrared spectroscopy have been analysed. What is more, magnetic susceptibility measurements over a wide range of temperature exhibit the presence of antiferromagnetic behaviour. [ABSTRACT FROM AUTHOR]
- Published
- 2023
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3. Spin crossover in iron(III) complexes.
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Harding, David J., Harding, Phimphaka, and Phonsri, Wasinee
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SPIN crossover , *IRON composites , *DETECTORS , *COMPUTER storage devices , *MAGNETIC properties - Abstract
Spin crossover compounds are a diverse class of switchable materials with applications ranging from data storage devices to sensors. Iron(III) spin crossover complexes have received renewed attention over the last 10 years with an increasing number of abrupt and hysteretic spin crossover systems discovered. This review provides a detailed overview of this exciting and increasingly interdisciplinary area of research with a particular focus on the structures of these materials and how this impacts their magnetic performance. [ABSTRACT FROM AUTHOR]
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- 2016
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4. Orientational disorder in the one-dimensional coordination polymer catena-poly[[bis(acetylacetonato- Κ²O,O')cobalt(II)]-µ-1,4-diazabicyclo[ 2.2.2]octane-Κ²N¹:N4].
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Dumitru, Florina, Englert, Ulli, and Braun, Beatrice
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ORDER-disorder transitions , *COORDINATION polymers , *COBALT compounds - Abstract
The title compound, [Co(C5H7O2)2 (C6H12N2)]n, was obtained as a one-dimensional coordination polymer from bis(acetylacetonato)di-aquacobalt(II), [Co(acac)2 (OH2)2], and 1,4-diaza-bicyclo[2.2.2]octane (DABCO), a diamine with good bridging ability and rod-like spacer function. In the chain complex that extends along the c axis, the CoII atom is six-coordinated, the O-donor atoms of the chelating acac ligands occupying the equatorial positions and the bridging DABCO ligands being in trans-axial positions. In the crystal structure, the DABCO ligand is conformationally disordered in a 50:50 manner as a result of its location across a crystallographic mirror plane. The metal-metal distance is very close to that in a related compound exhibiting weak antiferromagnetic exchange between the CoII ions, and the title compound can thus be useful for obtaining more information about the contribution of different bridges to the magnetic coupling between paramagnetic ions. [ABSTRACT FROM AUTHOR]
- Published
- 2016
- Full Text
- View/download PDF
5. Orientational disorder in the one-dimensional coordination polymer catena-poly[[bis(acetylacetonato- Κ²O,O')cobalt(II)]-µ-1,4-diazabicyclo[ 2.2.2]octane-Κ²N¹:N4].
- Author
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Dumitru, Florina, Englert, Ulli, and Braun, Beatrice
- Subjects
ORDER-disorder transitions ,COORDINATION polymers ,COBALT compounds - Abstract
The title compound, [Co(C
5 H7 O2 )2 (C6 H12 N2 )]n , was obtained as a one-dimensional coordination polymer from bis(acetylacetonato)di-aquacobalt(II), [Co(acac)2 (OH2 )2 ], and 1,4-diaza-bicyclo[2.2.2]octane (DABCO), a diamine with good bridging ability and rod-like spacer function. In the chain complex that extends along the c axis, the CoII atom is six-coordinated, the O-donor atoms of the chelating acac ligands occupying the equatorial positions and the bridging DABCO ligands being in trans-axial positions. In the crystal structure, the DABCO ligand is conformationally disordered in a 50:50 manner as a result of its location across a crystallographic mirror plane. The metal-metal distance is very close to that in a related compound exhibiting weak antiferromagnetic exchange between the CoII ions, and the title compound can thus be useful for obtaining more information about the contribution of different bridges to the magnetic coupling between paramagnetic ions. [ABSTRACT FROM AUTHOR]- Published
- 2016
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6. Cationic disorder and Mn3+/Mn4+ charge ordering in the B′ and B″ sites of Ca3Mn2NbO9 perovskite: a comparison with Ca3Mn2WO9.
- Author
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López, C.A., Saleta, M.E., Pedregosa, J.C., Sánchez, R.D., Alonso, J.A., and Fernández-Díaz, M.T.
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PEROVSKITE , *CRYSTAL structure , *MAGNETIC properties , *ELECTRON configuration , *MANGANESE , *CRYSTALLOGRAPHY , *X-ray powder diffraction - Abstract
Abstract: We describe the preparation, crystal structure determination, magnetic and transport properties of two novel Mn-containing perovskites, with a different electronic configuration for Mn atoms located in B site. Ca3Mn3+ 2WO9 and Ca3Mn3+/4+ 2NbO9 were synthesized by standard ceramic procedures; the crystallographic structure was studied from X-ray powder diffraction (XRPD) and neutron powder diffraction (NPD). Both phases exhibit a monoclinic symmetry (S.G.: P21/n); Ca3Mn2WO9 presents a long-range ordering over the B sites, whereas Ca3Mn2NbO9 is strongly disordered. By “in-situ” NPD, the temperature evolution of the structure study presents an interesting evolution in the octahedral size (〈Mn–O〉) for Ca3Mn2NbO9, driven by a charge ordering effect between Mn3+ and Mn4+ atoms, related to the anomaly observed in the transport measurements at T≈160K. Both materials present a magnetic order below T C =30K and 40K for W and Nb materials, respectively. The magneto-transport measurements display non-negligible magnetoresistance properties in the paramagnetic regime. [Copyright &y& Elsevier]
- Published
- 2014
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7. Crystal structure and magnetic properties of two new zoledronate complexes: A Mn dimer [Mn(II)(H3Zol)2·(H2O)2] and a Fe15 molecular cluster [Fe(III)15(HZol)10(H2Zol)2 (H2O)12(Cl4:(H2O)2)·Cl7·(H2O)65] (where H4Zol: C5H10N2O7P2 is zoledronic acid)
- Author
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Freire, Eleonora, Quintero, Mariano, Vega, Daniel, and Baggio, Ricardo
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CRYSTAL structure , *MAGNETIC properties , *ZOLEDRONIC acid , *MICROCLUSTERS , *METAL complexes , *ORGANIC synthesis - Abstract
Abstract: The synthesis, X-ray structure and magnetic properties of two new zoledronato complexes are presented: Mn(II)(H3Zol)2(H2O)2, (I) and Fe(III)15(HZol)10(H2Zol)2 (H2O)24 (2/3Cl:1/3H2O)6·7Cl·65(H2O) (II), where H4Zol=zoledronic acid=C5H10N2O7P2. Complex (I) is a dimer, built up around an inversion centre where the cation is located, surrounded by two chelating zoledronate anions and two water molecules. The structure is isomorphous to the Co, Ni and Zn isologues. A quite different structure is the Fe(III) complex which consists of a centrosymmetric cluster with 15 Fe(III) cations (one of them at the inversion centre), 12 zoledronate anions, in different protonation states and 26 coordinated water molecules, 24 of which show full occupancy and the remaining 2 share 6 coordination sites with 4 chlorine anions. There are in addition 7 chlorine counterions and a not well determined number of hydration water molecules, their number being adjusted as to match the chemical and TGA analysis. The general shape of the molecule is that of a 6 arm propeller with a Fe(III) cation at its center and two FeO6 coordination polyhedra sitting above and below, defining some sort of “paddle wheel axis”, perpendicular to the wheel plane. Around this axis there is an almost perfect circular structure formed by other six FeO6 octahedra, to which the “paddles”, defined by the remaining six FeO6 groups attach. The ensemble presents some unusual (Fe···OPO) n loops (n =2,3,4), some of them unreported, and displays a striking non-crystallographic −3 symmetry. The protonation state of the zoledronato ligands were inferred from the counterions effectively found and charge balance considerations. Both compounds present a paramagnetic behaviour at R.T, and obey a Curie Weiss law down to rather low temperatures (15K for (I), 100(K) for (II)) with a tendency to different types of interactions viz., ferromagnetic for (I) and antiferromagnetic for (II). The geometry of the F15 cluster is analyzed. [Copyright &y& Elsevier]
- Published
- 2013
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8. Synthesis, Characterisation and Magnetic Properties of a One-Dimensional Iron(II) Coordination Polymer.
- Author
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Romero, M. Lucia and Vaqueiro, Paz
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IRON , *COORDINATION polymers , *SPACE groups , *ANTIFERROMAGNETISM , *CRYSTALLOGRAPHY - Abstract
A new iron(II) coordination polymer, [FeCl(NCH)(NCH)], has been synthesized under solvothermal conditions and structurally characterized by single-crystal X-ray diffraction. This material crystallizes in the monoclinic space group C2/c, with a = 11.2850(6), b = 13.8925(7), c = 17.0988(9) Å and β = 94.300(3)º ( Z = 4). The crystal structure consists of neutral zig-zag chains, in which the iron(II) ions are octahedrally coordinated. The infinite polymer chains are packed into a three-dimensional structure through C-H···Cl interactions. Magnetic susceptibility measurements reveal the existence of weak antiferromagnetic interactions between the iron(II) ions. The effective magnetic moment, μ = 5.33 μ, is consistent with a high-spin iron(II) configuration. Graphical Abstract: The crystal structure of the coordination polymer [FeCl(NCH)(NCH)] consists of neutral zig-zag chains, in which the iron(II) ions are octahedrally coordinated.[Figure not available: see fulltext.] [ABSTRACT FROM AUTHOR]
- Published
- 2011
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9. A new ternary arsenide Eu20Ni42As31: Preparation, crystal structure and physical properties
- Author
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Babizhetskyy, Volodymyr, Hiebl, Kurt, and Simon, Arndt
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TERNARY system , *ARSENIDES , *MOLECULAR structure , *ELECTRIC properties of metals , *MAGNETIC properties of metals , *TRANSPORT properties of metal , *RARE earth metal alloys , *X-ray diffraction - Abstract
Abstract: We have investigated the crystal structure, magnetic and electrical transport properties of the new ternary compound Eu20Ni42As31, crystallizing in the hexagonal Sm20Ni42P31 structure type, space group P63/m, a =21.1496(7), c =4.0734(2)Å, according to X-ray powder diffraction. From magnetic investigations it is evidenced that in this compound the europium is divalent, Eu2+. The compound orders antiferromagnetically at a Neèl temperature T N =5K. However, in moderate magnetic fields an overall ferromagnetic-like magnetization is observed. The measurements of the electrical resistivity prove this magnetic behaviour as well as the metallic character of the compound Eu20Ni42As31. [Copyright &y& Elsevier]
- Published
- 2009
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10. Complexes based on asymmetrically substituted pyridine–dithiolene ligands [M(4-pedt)2] (M=Au, Cu, Ni; 4-pedt=1-(pyridin-4-yl)-ethylene-1,2-dithiolate): Synthesis, structure and physical properties
- Author
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Rabaça, Sandra, Cerdeira, Ana C., Neves, Ana I.S., Dias, Sandra I.G., Mézière, Cécile, Santos, Isabel C., Pereira, Laura C.J., Fourmigué, Marc, Henriques, Rui T., and Almeida, Manuel
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PYRIDINE , *LIGANDS (Chemistry) , *MOLECULAR structure , *COMPLEX compounds synthesis , *THIOLS , *SODIUM ions , *X-ray diffraction - Abstract
Abstract: The monoanionic Ni, Au and Cu bisdithiolene complexes based on the 1-(pyridin-4-yl)-ethylene-1,2-dithiolate were prepared and isolated as [PPh4]+, [n-Bu4N]+ and [Na(18C6)]+ salts which were characterised by single-crystal X-ray diffraction, cyclic voltammetry, EPR and magnetic susceptibility measurements. All the complexes adopt a square planar coordination geometry with a trans arrangement of the substituent pyridine rings whose planes are rotated from 13° to 33° relatively to the central MS4 core. The C–C and C–S bond lengths are consistent with ene-1,2-dithiolate form of the ligand and MIII oxidation state. The Ni complexes are paramagnetic with an effective magnetic moment of ∼1.7BM. [Copyright &y& Elsevier]
- Published
- 2009
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11. A manganese(II) coordination polymer with a 3D porous structure: Synthesis, structure, and spectroscopic and magnetic behaviour
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Castiñeiras, Alfonso, García-Santos, Isabel, and Varela, José M.
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COMPLEX compounds synthesis , *COORDINATION polymers , *MAGNETIC susceptibility , *THERMOGRAVIMETRY , *MOLECULAR structure , *MANGANESE compounds , *X-ray crystallography - Abstract
Abstract: A manganese(II) complex with N,N′-bis(carboxymethyl)dithiooxamide (H4GLYDTO), [Mn(H2GLYDTO)(H2O)2] n , has been synthesized and characterized by elemental analysis and thermogravimetric analysis, as well as by infrared, electronic and EPR spectroscopy and magnetic susceptibility measurements. The crystal and molecular structure of this complex was determined by single-crystal X-ray structure analysis. The compound shows a 3D porous framework with alternate left- and right-handed helical channels where the manganese(II) ions have an octahedral environment. Variable temperature magnetic measurements reveal the existence of very weak antiferromagnetic interactions through the syn-anti carboxylate bridge, with an exchange parameter of J/k =−0.12K. [Copyright &y& Elsevier]
- Published
- 2009
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12. Structural chemistry and physical properties of ternary compounds R6Ni15As10, R=Y, Sm, Gd, Tb, Dy
- Author
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Babizhetskyy, Volodymyr, Hiebl, Kurt, and Simon, Arndt
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NICKEL , *HIGH temperatures , *NUCLEAR magnetic resonance , *MAGNETISM - Abstract
Abstract: The ternary rare-earth nickel arsenides R6Ni15As10 (R=Y, Sm, Gd, Tb, Dy) were synthesized from the elements by reaction at elevated temperatures. They were found to crystallize with a hexagonal structure which was determined from single-crystal X-ray data in case of Tb6Ni15As10, space group P63/m, Z =2, a =17.005(1)Å and c =3.8877(2)Å. The crystal structure for the isostructural compound Gd6Ni15As10 has been determined using X-ray powder diffraction data (full profile refinement: a =17.0350(4)Å and c =3.9183(1)Å). These compounds belong to a large family of hexagonal structures with a metal to metalloid ratio of 2:1. The paramagnetism of these compounds is only due to the lanthanoid 4f magnetic moment, whereas nickel is non-magnetic. At low temperatures the samples undergo magnetic transitions, anti-ferromagnetic in case of the Sm and Gd ternaries with T N =15 and 24K and ferromagnetic for Tb6Ni15As10 with T C =12K, respectively. The temperature dependence of the electrical resistivity, ρ(T), reflects the metallic character of these compounds. Characteristic changes of the slopes of the ρ(T) plots confirm the magnetic transitions. [Copyright &y& Elsevier]
- Published
- 2006
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13. Binding of ligands containing carbonyl and phenol groups to iron(<scp>iii</scp>): new Fe6, Fe10and Fe12coordination clusters
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Kitos, Alexandros A., Papatriantafyllopoulou, Constantina, Tasiopoulos, Anastasios J., Perlepes, Spyros P., Escuer, Albert, Nastopoulos, Vassilios, Tasiopoulos, Anastasios J. [0000-0002-4804-3822], Papatriantafyllopoulou, Constantina [0000-0002-5652-7747], Nastopoulos, Vassilios [0000-0003-4190-1342], and Kitos, Alexandros A. [0000-0002-1431-3206]
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Atoms ,Stereochemistry ,Iron ,Ground state ,Magnetostructural correlations ,Infrared spectroscopy ,Ionic bonding ,Crystal structure ,Iron compounds ,Ligands ,Coordination clusters ,010402 general chemistry ,01 natural sciences ,Magnetic susceptibility ,Inorganic Chemistry ,chemistry.chemical_compound ,Magnetization measurements ,Pyridine ,Antiferromagnetism ,Magnetic behaviour ,2-Hydroxybenzophenone ,Hydroxyacetophenones ,Chelation ,010405 organic chemistry ,Chemistry ,Variable temperature ,Chlorine compounds ,0104 chemical sciences ,Octahedral geometry ,Crystallography ,Octahedron ,Cubane ,Synthesis (chemical) ,Coordination reactions - Abstract
The initial use of ligands 2′-hydroxyacetophenone (HL1), 2-hydroxybenzophenone (HL2) and 2,2′-dihydroxybenzophenone (H2L3) in iron(iii) chemistry is described. The syntheses and crystal structures are reported for five iron(iii) clusters: [Fe10O4(OMe)14(L1)6(MeOH)2](NO3)2·3MeOH (1·3MeOH), [Fe12O4(OH)(OMe)17(L1)8](ClO4)2·2H2O (2·2H2O), [Fe10O4(OMe)14Cl4(L2)4(MeOH)2] (3), [Fe10O4(OMe)14(L2)6(py)2](ClO4)2·MeOH (4·MeOH), where py = pyridine, and [Fe6O2(OEt)6(O2CMe)2(L3)2(HL3)2] (5). The molecular structures of the decanuclear clusters 1, 3 and 4 are organized around a {Fe10(μ4-O)4(μ3-OMe)2(μ-OMe)12}8+ core consisting of ten {Fe3O4} face-sharing defective cubane units. The core of 2 consists of a {Fe12(μ4-O)4(μ3-OMe)4(μ-OH)(μ-OMe)13}10+ unit composed of twelve {Fe3O4} face-sharing defective cubanes. The ligands (L1)− and (L2)− in 1-4 adopt the O,O′-bidentate chelating coordination mode and their roles are to terminate the further aggregation of the FeIII/O2−/RO− cores. Complex 5 contains the {Fe6(μ4-O)2(μ-OEt)6(μ-Ocarbonyl)2}4+ core, where the μ-Ocarbonyl atoms are the bridging carbonyl oxygens of the two η1:η2:η1:μ (L3)2− ligands the (HL3)− groups behave as Ophenolate, Ocarbonyl-bidentate chelating ligands with the neutral hydroxyl group being unbound to the FeIII atoms. The core is composed of four {Fe3O4} face-sharing defective cubanes. The FeIII atoms in 1-5 are all six-coordinate with distorted octahedral geometries. The IR spectra of the complexes are discussed in terms of the known coordination modes of the ligands and the ionic character of nitrates and perchlorates. Variable-temperature magnetic susceptibility and variable-field magnetization measurements establish that 2, 3 and 5 have S = 3, 0 and 5 ground states, respectively. The susceptibility data for 5 were fitted using a 3-J model indicating the simultaneous presence of both antiferromagnetic and ferromagnetic FeIII⋯FeIII exchange interactions. Known magnetostructural correlations in oxido-bridged iron(iii) systems have been applied to rationalise the magnetic behaviour of the three clusters. The results of the present study demonstrate the utility of HL1, HL2 and H2L3 in the stabilisation of robust iron(iii)/oxido/alkoxido clusters. © The Royal Society of Chemistry. 46 10 3240 3251
- Published
- 2017
14. Orientational disorder in the one-dimensional coordination polymer catena-poly[[bis(acetylacetonato- ϰ2O,O')cobalt(II)]-μ-1,4-diazabicyclo[2.2.2]octane- ϰ2N1:N4]
- Author
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Florina Dumitru, Beatrice Braun, and Ulli Englert
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crystal structure ,Coordination polymer ,Stereochemistry ,chemistry.chemical_element ,acetylacetonate complexes ,DABCO ,Crystal structure ,010402 general chemistry ,010403 inorganic & nuclear chemistry ,01 natural sciences ,Research Communications ,chemistry.chemical_compound ,Paramagnetism ,General Materials Science ,ddc:530 ,Octane ,cobalt(II) ,Crystallography ,Bicyclic molecule ,Ligand ,General Chemistry ,orientational disorder ,Condensed Matter Physics ,acetylacetonate complexes ,0104 chemical sciences ,chemistry ,QD901-999 ,one-dimensional coordination polymer ,magnetic behaviour ,Cobalt - Abstract
The one-dimensional coordination polymer, self-assembled from bis(acetylacetonato)cobalt(II) units as metal–complex connectors and 1,4-diazabicyclo[2.2.2]octane (DABCO) as linkers, can serve for a comparative investigation of the magnetic behaviour of analogous compounds. Space filling more symmetric than atom positions leads to pronounced orientational disorder for the DABCO ligand., The title compound, [Co(C5H7O2)2(C6H12N2)]n, was obtained as a one-dimensional coordination polymer from bis(acetylacetonato)diaquacobalt(II), [Co(acac)2(OH2)2], and 1,4-diazabicyclo[2.2.2]octane (DABCO), a diamine with good bridging ability and rod-like spacer function. In the chain complex that extends along the c axis, the CoII atom is six-coordinated, the O-donor atoms of the chelating acac ligands occupying the equatorial positions and the bridging DABCO ligands being in trans-axial positions. In the crystal structure, the DABCO ligand is conformationally disordered in a 50:50 manner as a result of its location across a crystallographic mirror plane. The metal–metal distance is very close to that in a related compound exhibiting weak antiferromagnetic exchange between the CoII ions, and the title compound can thus be useful for obtaining more information about the contribution of different bridges to the magnetic coupling between paramagnetic ions.
- Published
- 2016
- Full Text
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15. Cationic disorder and Mn3+/Mn4+ charge ordering in the B′ and B″ sites of Ca3Mn2NbO9 perovskite: a comparison with Ca3Mn2WO9
- Author
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Carlos López, José Antonio Alonso, Rodolfo Sánchez, José C. Pedregosa, M.E. Saleta, and M. T. Fernandez‐Diaz
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Materials science ,Charge ordering ,Magnetoresistance ,Crystal structure ,Ciencias Químicas ,Double perovskite ,Condensed Matter Physics ,Química Inorgánica y Nuclear ,Electronic, Optical and Magnetic Materials ,Inorganic Chemistry ,Crystallography ,Paramagnetism ,Octahedron ,Crystal structures ,Transport properties ,Materials Chemistry ,Ceramics and Composites ,Physical and Theoretical Chemistry ,Powder diffraction ,CIENCIAS NATURALES Y EXACTAS ,Magnetic behaviour ,Natural bond orbital ,Perovskite (structure) - Abstract
We describe the preparation, crystal structure determination, magnetic and transport properties of two novel Mn-containing perovskites, with a different electronic configuration for Mn atoms located in B site. Ca3Mn 3+ 2WO9 and Ca3Mn 3+/4+ 2NbO9 were synthesized by standard ceramic procedures; the crystallographic structure was studied from X-ray powder diffraction (XRPD) and neutron powder diffraction (NPD). Both phases exhibit a monoclinic symmetry (S.G.: P21/n); Ca3Mn 2WO9 presents a long-range ordering over the B sites, whereas Ca3Mn2NbO9 is strongly disordered. By >in-situ> NPD, the temperature evolution of the structure study presents an interesting evolution in the octahedral size (〈 Mn-OâŒ) for Ca3Mn2NbO9, driven by a charge ordering effect between Mn3+ and Mn4+ atoms, related to the anomaly observed in the transport measurements at T≈160 K. Both materials present a magnetic order below TC=30 K and 40 K for W and Nb materials, respectively. The magneto-transport measurements display non-negligible magnetoresistance properties in the paramagnetic regime.© 2013 Published by Elsevier Inc. All rights reserved., C.A.L. and M.E.S. thanks a CONICET fellowship. J.C.P. thanks CONICET (Project PIP 2008-01360), SECyT-UNSL (Project 7707 and Project 2-1612). R.D.S. acknowledges financial support of ANPCYT (Project PICT 2011-0752) and SEPCyT-UNCu (06/C389). J.C.P. and R.D.S are member of CONICET. J.A.A. acknowledges the financial support of the Spanish Ministry of Education to the project MAT2010-16404.
- Published
- 2013
16. Crystal structure and magnetic properties of two new zoledronate complexes: A Mn dimer [Mn(II)(H3Zol)2·(H2O)2] and a Fe15 molecular cluster [Fe(III)15(HZol)10(H2Zol)2 (H2O)12(Cl4:(H2O)2)·Cl7·(H2O)65] (where H4Zol: C5H10N2O7P2 is zoledronic acid)
- Author
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M. Quintero, Ricardo Baggio, Eleonora Freire, and Daniel A. Vega
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FE15 IRON CLUSTER ,Curie–Weiss law ,Chemistry ,Dimer ,Otras Ciencias Químicas ,Ciencias Químicas ,MAGNETIC BEHAVIOUR ,Protonation ,Crystal structure ,Inorganic Chemistry ,chemistry.chemical_compound ,Crystallography ,Paramagnetism ,Paddle wheel ,Octahedron ,ZOLEDRONATE COMPLEXES ,Materials Chemistry ,Antiferromagnetism ,Physical and Theoretical Chemistry ,CIENCIAS NATURALES Y EXACTAS - Abstract
The synthesis, X-ray structure and magnetic properties of two new zoledronato complexes are presented: Mn(II)(H3Zol)2(H 2O)2, (I) and Fe(III)15(HZol) 10(H2Zol)2 (H2O)24 (2/3Cl:1/3H2O)6·7Cl·65(H2O) (II), where H4Zol = zoledronic acid = C5H10N 2O7P2. Complex (I) is a dimer, built up around an inversion centre where the cation is located, surrounded by two chelating zoledronate anions and two water molecules. The structure is isomorphous to the Co, Ni and Zn isologues. A quite different structure is the Fe(III) complex which consists of a centrosymmetric cluster with 15 Fe(III) cations (one of them at the inversion centre), 12 zoledronate anions, in different protonation states and 26 coordinated water molecules, 24 of which show full occupancy and the remaining 2 share 6 coordination sites with 4 chlorine anions. There are in addition 7 chlorine counterions and a not well determined number of hydration water molecules, their number being adjusted as to match the chemical and TGA analysis. The general shape of the molecule is that of a 6 arm propeller with a Fe(III) cation at its center and two FeO6 coordination polyhedra sitting above and below, defining some sort of "paddle wheel axis", perpendicular to the wheel plane. Around this axis there is an almost perfect circular structure formed by other six FeO6 octahedra, to which the "paddles", defined by the remaining six FeO6 groups attach. The ensemble presents some unusual (Fe···OPO)n loops (n = 2,3,4), some of them unreported, and displays a striking non-crystallographic -3 symmetry. The protonation state of the zoledronato ligands were inferred from the counterions effectively found and charge balance considerations. Both compounds present a paramagnetic behaviour at R.T, and obey a Curie Weiss law down to rather low temperatures (15 K for (I), 100(K) for (II)) with a tendency to different types of interactions viz., ferromagnetic for (I) and antiferromagnetic for (II). The geometry of the F15 cluster is analyzed. © 2012 Elsevier B.V. All rights reserved. Fil: Freire Espeleta, Eleonora. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina. Universidad Nacional de San Martín. Escuela de Ciencia y Tecnología; Argentina Fil: Quintero, Mariano Horacio. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina. Universidad Nacional de San Martín. Escuela de Ciencia y Tecnología; Argentina Fil: Vega, Daniel Roberto. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina. Universidad Nacional de San Martín. Escuela de Ciencia y Tecnología; Argentina Fil: Baggio, Ricardo Fortunato. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina
- Published
- 2013
17. Synthesis, crystal structure and magnetic behaviour of dimeric and polymeric gadolinium trifluoroacetate complexes
- Author
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John, Daniela, Rohde, Alexander, and Urland, Werner
- Subjects
Synthesis ,Dewey Decimal Classification::500 | Naturwissenschaften::540 | Chemie ,Trifluoroacetates ,ddc:540 ,Crystal Structure ,Magnetic Behaviour ,Gadolinium Carboxylates - Abstract
The gadolinium(III) trifluoroacetates ((CH3)2NH 2)[Gd(CF3COO)4] (1), ((CH3) 3NH)[Gd(CF3 COO)4(H2O)] (2), Gd(CF3COO)3(H2O)3 (3) as well as Gd2(CF3COO)6(H2O) 2(phen)3 · C2H5OH (4) (phen = 1,10-phenanthroline) were synthesized and structurally characterized by X-ray crystallography. These compounds crystallize in the space group P1 (No. 2, Z = 2) (1, 2 and 4) and P 21/c (No. 14, Z = 4) (3), respectively, with the following lattice constants 1: a = 884.9(2), b = 1024.9(2), c = 1173.1(2) pm, α = 105.77(2), β = 99.51(2), γ = 107.93(2)°; 2: a = 965.1(1), b = 1028.6(1), c = 1271.3(2) pm, α = 111.83(2), β = 111.33(2), γ = 90.44(2)°; 3: a = 919.6(2), b = 1890.6(4), c = 978.7(2) pm, β = 113.94(2)°; 4: a = 1286.7(8), b = 1639.3(8), c = 1712.2(9) pm, α = 62.57(6), β = 84.13(5), γ = 68.28(5)°. The compounds consist of Gd3+ ions which are bridged by carboxylate groups either to chains (1 and 2) or to dimers (3 and 4). In addition to the Gd3+ dimers, compound (4) also contains monomeric Gd3+ units. The magnetic behaviour of 2 and 3 was investigated in a temperature range of 1.77 to 300 K. The magnetic data for these compounds indicate weak antiferromagnetic interactions. © 2006 Verlag der Zeitschrift für Naturforschung.
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- 2006
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