0000000001300914

AUTHOR

Tatiana R. G. Simões

showing 16 related works from this author

On the magneto-structural role of the coordinating anion in oxamato-bridged copper(ii) derivatives

2019

We herein present the synthesis, spectroscopic analysis, description of the crystal structures and magnetic properties of four new complexes of the formula [{Cu(opba)(H2O)1.2}{Cu(dmphen)(SCN)}2]·dmf (1), [{Cu(opba)}2{Cu(dmphen)Cl}4]·1.5dmf·2.5dmso (2), [{Cu(opba)}2{Cu(dmphen)Br}4]·dmf·2.3dmso (3) and [{Cu(opba)}{Cu(dmphen)(dca)}2]n (4) [H4opba = N,N′-1,2-phenylenebis(oxamic acid), dmphen = 2,9-dimethyl-1,10-phenanthroline and dca = dicyanamide anion]. 1 is a neutral tricopper(II) complex where an inner [Cu(opba)]2− fragment adopts a bis-bidentate coordination mode towards two outer [Cu(dmphen)(NCS)]+ units. 2 and 3 are bis-trinuclear species where two oxamato-bridged [Cu(opba){Cu(dmphen)X}2…

010405 organic chemistryLigandchemistry.chemical_elementCrystal structureAtmospheric temperature range010402 general chemistry01 natural sciencesCopperMagnetic susceptibility0104 chemical sciencesIonInorganic Chemistrychemistry.chemical_compoundCrystallographychemistryAntiferromagnetismDicyanamideDalton Transactions
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A two-dimensional oxamate- and oxalate-bridged Cu(II)Mn(II) motif: crystal structure and magnetic properties of (Bu4N)2[Mn2{Cu(opba)}2ox].

2013

A new compound of formula (Bu4N)2[Mn2{Cu(opba)}2ox] (1) [Bu4N(+) = tetra-n-butylammonium cation, H4opba = 1,2-phenylenebis(oxamic acid), and H2ox = oxalic acid] has been synthesized and magneto-structurally investigated. The reaction of manganese(II) acetate, [Cu(opba)](2-), and ox(2-) in dimethyl sulfoxide yielded single crystals of 1. The structure of 1 consists of heterobimetallic oxamato-bridged Cu(II)Mn(II) chains which are connected through bis-bidentate oxalate coordinated to the manganese(II) ions to afford anionic heterobimetallic layers of 6(3)-hcb net topology. The layers are interleaved by n-Bu4N(+) counterions. Each copper(II) ion in 1 is four-coordinate in a square planar envi…

LigandStereochemistrychemistry.chemical_elementManganeseCrystal structureCopperOxalateInorganic ChemistryCrystallographychemistry.chemical_compoundOctahedronchemistryAntiferromagnetismPhysical and Theoretical ChemistrySpin cantingInorganic chemistry
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Copper(II) assembling with bis(2-pyridylcarbonyl)amidate and N,N'-2,2-phenylenebis(oxamate).

2013

We herein present the synthesis and X-ray structures of five copper(II) complexes of formulae [Cu(bpca)(CF3SO3)(H2O)]·H2O (1), [Cu(bpca)(Phpr)(H2O)]·3/2H2O (2), {[Cu(bpca)]2[Cu(opba)(H2O)]}·H2O (3), {[Cu(bpca)]2(H2opba)}2·6H2O (4) and [Cu(bpca)(EtH2opba)]n (5), where bpca = bis(2-pyridylcarbonyl)amidate, Phpr = 3-phenylpropionate, CF3SO3(−) = triflate (anion of the trifluoromethanesulphonic acid), H4opba = N,N′-1,2-phenylenebis(oxamic acid), and EtH3opba = monoethyl ester derivative of the H4opba. 1 and 2 are mononuclear copper(II) complexes where the copper atom is five-coordinate in distorted square pyramidal surroundings with a tridentate bpca and a water molecule (1)/carboxylate oxygen …

DenticityStereochemistrychemistry.chemical_elementCopperSquare pyramidal molecular geometryInorganic Chemistrychemistry.chemical_compoundCrystallographychemistryOctahedronSquare pyramidMoleculeCarboxylateTrifluoromethanesulfonateDalton transactions (Cambridge, England : 2003)
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Building-up host-guest helicate motifs and chains: a magneto-structural study of new field-induced cobalt-based single-ion magnets.

2021

In this work, we present the synthetic pathway, a refined structural description, complete solid-state characterization and the magnetic properties of four new cobalt(II) compounds of formulas [Co(H2O)6][Co2(H2mpba)3]·2H2O·0.5dmso (1), [Co(H2O)6][Co2(H2mpba)3]·3H2O·0.5dpss (2), [Co2(H2mpba)2(H2O)4]n·4nH2O (3), and [Co2(H2mpba)2(CH3OH)2(H2O)2]n·0.5nH2O·2ndpss (4) [dpss = 2,2′-dipyridyldisulfide and H4mpba = 1,3-phenylenebis(oxamic) acid], where 2 and 4 were obtained from [Co(dpss)Cl2] (Pre-I) as the source of cobalt(II). All four compounds are air-stable and were prepared under ambient conditions. 1 and 2 were obtained from a slow diffusion method [cobalt(II) : H2mpba2− molar ratio used 1 : …

Materials scienceSpin states010405 organic chemistryHydrogen bondSupramolecular chemistrychemistry.chemical_element010402 general chemistry01 natural sciencesMagnetic susceptibility0104 chemical sciencesIonInorganic ChemistryCrystallographychemistryMagnetMoleculeCobaltDalton transactions (Cambridge, England : 2003)
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Solvent-driven dimensionality control in molecular systems containing CuII, 2,2′-bipyridine and an oxamato-based ligand

2013

A discrete dicopper(II) system, [Cu(bipy)(H2mpba)]2·2H2O (1), and its isomeric chain, [Cu(bipy)(H2mpba)]·dmso (2) [bipy = 2,2′-bipyridine and H4mpba = N,N′-1,3-phenylenebis(oxamic acid)], were obtained by modifying the ratio of the H2O–dmso solvent mixture, and their interconversion was also monitored by changing the solvents during the synthesis. The solvents play an essential role in the formation and crystallization of these complexes, presenting different dimensionalities and connectivities. The double deprotonated H2mpba2− adopts the bidentate/monodentate (1) and bis-bidentate (2) bridging modes toward the (2,2′-bipyridyl)copper(II) units affording a dinuclear compound (1) and a linear…

DenticityStereochemistryLigandchemistry.chemical_elementGeneral ChemistryCondensed Matter PhysicsCopper22'-Bipyridinelaw.inventionSolventchemistry.chemical_compoundCrystallographyDeprotonationchemistrylawAntiferromagnetismGeneral Materials ScienceCrystallizationCrystEngComm
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Influence of Copper(II) and Nickel(II) Ions in the Topology of Systems Based on a Flexible Bis-Oxamate and Bipyridine Building Blocks

2014

Single crystals of the mononuclear bis-oxamate nickel(II) complex [Ni(bipy)(H2edpba)]·dmso (1) are obtained by reacting [Ni(bipy)Cl2]·H2O and the flexible K2(H2edpba) ligand [bipy = 2,2′-bipyridine; H4edpba = N,N′-2,2′-ethylenediphenylenebis(oxamic acid)]. The reaction of 1 with copper(II) ions resulted in two products in which the replacement of the nickel(II) ion by copper(II) took place: the chain compound [Cu(bipy)(H2edpba)]n·3nH2O·ndmso [dmso = dimethyl sulfoxide] (2) and the analogous chain compound without dmso crystallization molecules [Cu(bipy)(H2edpba)]n·1.5nH2O (3a) in its polycrystalline form. The reaction of [Cu(bipy)Cl2] and K2(H2edpba) yielded single crystals of [Cu(bipy)(H2e…

Dimethyl sulfoxideInorganic chemistrychemistry.chemical_elementGeneral ChemistryCondensed Matter PhysicsCopperMagnetic susceptibilitylaw.inventionBipyridinechemistry.chemical_compoundCrystallographyNickelchemistrylawAlkane stereochemistryMoleculeGeneral Materials ScienceCrystallizationCrystal Growth & Design
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CCDC 1016163: Experimental Crystal Structure Determination

2015

Related Article: Walace D. do Pim, Tatiana R. G. Simões, Willian X. C. Oliveira, Isabella R. A. Fernandes, Carlos B. Pinheiro, Francesc Lloret, Miguel Julve, Humberto O. Stumpf, Cynthia L. M. Pereira|2014|Cryst.Growth Des.|14|5929|doi:10.1021/cg501134y

Space GroupCrystallographycatena-((22'-bipyridine)-(mu-NN'-(22'-ethylenedi-21-phenylene)bis(oxamato))-copper(ii) sesquihydrate)Crystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 923163: Experimental Crystal Structure Determination

2013

Related Article: Maria V. Marinho, Tatiana R. G. Simões, Marcos A. Ribeiro, Cynthia L. M. Pereira, Flávia C. Machado, Carlos B. Pinheiro, Humberto O. Stumpf, Joan Cano, Francesc Lloret, and Miguel Julve|2013|Inorg.Chem.|52|8812|doi:10.1021/ic401038c

Space GroupCrystallographyCrystal SystemCrystal Structurecatena-[bis(tetra-n-butylammonium) bis(mu~3~-(carboxylatocarbonyl)(2-([carboxylato(oxidanidyl)methylidene]amino)phenyl)amido)-(mu~2~-oxalato)-di-copper-di-manganese]Cell ParametersExperimental 3D Coordinates
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CCDC 1901771: Experimental Crystal Structure Determination

2019

Related Article: Tatiana R. G. Simões, Maria Vanda Marinho, Jorge Pasán, Humberto O. Stumpf, Nicolás Moliner, Francesc Lloret, Miguel Julve|2019|Dalton Trans.|48|10260|doi:10.1039/C9DT01277J

Space GroupCrystallographycatena-((mu-dicyanamide)-(mu-22'-(12-phenylenediazanediyl)bis(oxoacetato))-(dicyanamide)-bis(29-dimethyl-110-phenanthroline)-tri-copper)Crystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 942308: Experimental Crystal Structure Determination

2013

Related Article: Tatiana R. G. Simões, Walace D. do Pim, Ingrid F. Silva, Willian X. C. Oliveira, Carlos B. Pinheiro, Cynthia L. M. Pereira, Francesc Lloret, Miguel Julve, Humberto O. Stumpf|2013|CrystEngComm|15|10165|doi:10.1039/C3CE41783B

Space GroupCrystallographycatena-[(22'-bipyridine)-(mu2-22'-(benzene-13-diyldiimino)bis(oxoacetato))-copper(ii) dimethyl sulfoxide solvate]Crystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1901770: Experimental Crystal Structure Determination

2019

Related Article: Tatiana R. G. Simões, Maria Vanda Marinho, Jorge Pasán, Humberto O. Stumpf, Nicolás Moliner, Francesc Lloret, Miguel Julve|2019|Dalton Trans.|48|10260|doi:10.1039/C9DT01277J

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(mu-bromo)-bis(mu-22'-(12-phenylenediazanediyl)bis(oxoacetato))-tetrakis(29-dimethyl-110-phenanthroline)-dibromo-hexa-copper unknown solvateExperimental 3D Coordinates
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CCDC 942307: Experimental Crystal Structure Determination

2013

Related Article: Tatiana R. G. Simões, Walace D. do Pim, Ingrid F. Silva, Willian X. C. Oliveira, Carlos B. Pinheiro, Cynthia L. M. Pereira, Francesc Lloret, Miguel Julve, Humberto O. Stumpf|2013|CrystEngComm|15|10165|doi:10.1039/C3CE41783B

Space GroupCrystallographyCrystal SystemCrystal Structurebis(22'-bipyridine)-bis(mu2-22'-(benzene-13-diyldiimino)bis(oxoacetato))-di-copper(ii) dihydrateCell ParametersExperimental 3D Coordinates
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CCDC 1901769: Experimental Crystal Structure Determination

2019

Related Article: Tatiana R. G. Simões, Maria Vanda Marinho, Jorge Pasán, Humberto O. Stumpf, Nicolás Moliner, Francesc Lloret, Miguel Julve|2019|Dalton Trans.|48|10260|doi:10.1039/C9DT01277J

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(mu-22'-(12-phenylenediazanediyl)bis(oxoacetato))-dichloro-bis(29-dimethyl-110-phenanthroline)-tri-copper unknown solvateExperimental 3D Coordinates
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CCDC 1901768: Experimental Crystal Structure Determination

2019

Related Article: Tatiana R. G. Simões, Maria Vanda Marinho, Jorge Pasán, Humberto O. Stumpf, Nicolás Moliner, Francesc Lloret, Miguel Julve|2019|Dalton Trans.|48|10260|doi:10.1039/C9DT01277J

Space GroupCrystallographyCrystal System(mu-22'-(12-phenylenediazanediyl)bis(oxoacetato))-aqua-bis(isothiocyanato)-bis(29-dimethyl-110-phenanthroline)-tri-copper dimethylformamide solvate hydrateCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1016161: Experimental Crystal Structure Determination

2015

Related Article: Walace D. do Pim, Tatiana R. G. Simões, Willian X. C. Oliveira, Isabella R. A. Fernandes, Carlos B. Pinheiro, Francesc Lloret, Miguel Julve, Humberto O. Stumpf, Cynthia L. M. Pereira|2014|Cryst.Growth Des.|14|5929|doi:10.1021/cg501134y

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-((22'-bipyridine)-(mu-NN'-(22'-ethylenedi-21-phenylene)bis(oxamato))-copper(ii) dimethyl sulfoxide solvate trihydrate)Experimental 3D Coordinates
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CCDC 1016162: Experimental Crystal Structure Determination

2015

Related Article: Walace D. do Pim, Tatiana R. G. Simões, Willian X. C. Oliveira, Isabella R. A. Fernandes, Carlos B. Pinheiro, Francesc Lloret, Miguel Julve, Humberto O. Stumpf, Cynthia L. M. Pereira|2014|Cryst.Growth Des.|14|5929|doi:10.1021/cg501134y

(22'-bipyridine)-(NN'-(22'-ethylenedi-21-phenylene)bis(oxamato))-nickel(ii) dimethyl sulfoxide solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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