0000000001304088

AUTHOR

M. Luisa Calatayud

showing 18 related works from this author

Ligand Effects on the Structure and Magnetic Properties of Alternating Copper(II) Chains with 2,2′-Bipyrimidine- and Polymethyl-Substituted Pyrazolat…

2014

A novel series of heteroleptic copper(II) compounds of formulas {[Cu2(μ-H2O)(μ-pz)2(μ-bpm)(ClO4)(H2O)]ClO4·2H2O}n (1), {[Cu2(μ-H2O)(μ-3-Mepz)2(μ-bpm)](ClO4)2·2H2O}n (2), and {[Cu2(μ-OH)(μ-3,5-Me2pz)(μ-bpm)(H-3,5-Me2pz)2](ClO4)2}n (3) [bpm = 2,2'-bipyrimidine, Hpz = pyrazole, H-3-Mepz = 3-methylpyrazole, and H-3,5-Me2pz = 3,5-dimethylpyrazole] have been synthesized and structurally characterized by X-ray diffraction methods. The crystal structures of 1 and 2 consist of copper(II) chains with regular alternating bpm and bis(pyrazolate)(aqua) bridges, whereas that of 3 is made up of copper(II) chains with regular alternating bpm and (pyrazolate)(hydroxo) bridges. The copper centers are six- (1…

Inorganic ChemistryCrystallographychemistry.chemical_compoundchemistryOctahedronLigandStereochemistrychemistry.chemical_elementCrystal structurePhysical and Theoretical ChemistryPyrazoleCopperInorganic Chemistry
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Magneto-structural correlations in asymmetric oxalato-bridged dicopper(II) complexes with polymethyl-substituted pyrazole ligands

2018

Two oxalato-bridged dinuclear copper(II) complexes, [{Cu(Hdmpz)3}2(μ-ox)](ClO4)2·2H2O (1) and [{Cu(Htmpz)3}2(μ-ox)](ClO4)2·2H2O (2) (Hdmpz = 3,5-dimethyl-1H-pyrazole and Htmpz = 3,4,5-trimethyl-1H-pyrazole), have been synthesized and structurally and magnetically characterized. The crystal structures of 1 and 2 consist of asymmetric bis-bidentate μ-oxalatodicopper(II) complex cations with two short [Cu–O = 1.976(2) (1) and 1.973(2) Å (2)] and two long copper–oxygen bonds [Cu–O = 2.122(2) (1) and 2.110(2) Å (2)]. The environment at each CuII ion in 1 and 2 is closer to the trigonal bipyramidal geometry than to the square pyramidal [τ = 0.633 (1) and 0.711 (2)]. The magnetic properties of 1 a…

010405 organic chemistrychemistry.chemical_elementCrystal structurePyrazole ligandsPyrazole010402 general chemistry01 natural sciencesCopperSquare pyramidal molecular geometryAntiferromagnetic coupling0104 chemical sciencesIonCrystallographychemistry.chemical_compoundTrigonal bipyramidal molecular geometrychemistryMaterials ChemistryPhysical and Theoretical Chemistry
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Ferro- and Antiferromagnetic Interactions in Oxalato-Centered Inverse Hexanuclear and Chain Copper(II) Complexes with Pyrazole Derivatives.

2021

Two novel copper(II) complexes of formulas {[Cu(4-Hmpz)4][Cu(4-Hmpz)2(µ3-ox-κ2O1,O2:κO2′:κO1′)(ClO4)2]}n (1) and {[Cu(3,4,5-Htmpz)4]2[Cu(3,4,5-Htmpz)2(µ3-ox-κ2O1,O2:κO2′:κO1′)(H2O)(ClO4)]2[Cu2(3,4,5-Htmpz)4(µ-ox-κ2O1,O2:κ2O2′,O1′)]}(ClO4)4·6H2O (2) have been obtained by using 4-methyl-1H-pyrazole (4-Hmpz) and 3,4,5-trimethyl-1H-pyrazole (3,4,5-Htmpz) as terminal ligands and oxalate (ox) as the polyatomic inverse coordination center. The crystal structure of 1 consists of perchlorate counteranions and cationic copper(II) chains with alternating bis(pyrazole)(µ3-κ2O1,O2:κO2′:κO1′-oxalato)copper(II) and tetrakis(pyrazole)copper(II) fragments. The crystal structure of 2 is made up of perchlorat…

crystal structurePharmaceutical Sciencechemistry.chemical_elementCrystal structurePyrazoleOxalateArticleAnalytical ChemistryPerchloratechemistry.chemical_compoundQD241-441TheoryofComputation_ANALYSISOFALGORITHMSANDPROBLEMCOMPLEXITYDrug DiscoveryAntiferromagnetismPhysical and Theoretical Chemistrypolynuclear complexesOrganic ChemistryPolyatomic ioninverse coordination chemistryoxalatoCopperpyrazoleCrystallographycoordination polymerschemistryChemistry (miscellaneous)Intramolecular forcecopperMolecular Medicinemagnetic propertiesMolecules (Basel, Switzerland)
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Cu(II) and Cu(I) complexes with 1,2-dithiosquarate as a ligand; from molecular compounds to supramolecular network structures

2008

Abstract Four new complexes of copper(II) and/or copper(I) with 1,2-dtsq as a ligand have been synthesized and characterized by single crystal X-ray diffraction methods, [CuII(terpy)(1,2-dtsq)] (1), [CuII(dmen)(1,2-dtsq)]n (2), {[CuII(dmen)2][CuI(1,2-dtsq)]2}n·2nH2O(3) and {[CuII(men)2][CuI (1,2-dtsq)]2}n·nH2O (4) (1,2-dtsq = 1,2-dithiosquarate, dianion of 3,4-dimercapto-1-cyclobutene-1,2-dione; dmen = N,N-dimethylethylenediamine; men = N-methylethylenediamine, terpy = 2,2′:6,2″-terpyridine). Compound 1 consists of neutral [CuII(terpy)(1,2-dtsq)] mononuclear units which are held together by O⋯H–C and van der Waals interactions. Compound 2 is built of neutral [CuII(dmen)(1,2-dtsq)] entities …

DenticityCoordination sphereChemistryLigandOrganic ChemistrySupramolecular chemistrychemistry.chemical_elementCrystal structureCopperAnalytical ChemistryInorganic Chemistrysymbols.namesakeCrystallographysymbolsvan der Waals forceSingle crystalSpectroscopyJournal of Molecular Structure
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Synthesis, spectroscopic and structural characterization of [Cu(phen)(C5O5)(H2O)]·H2O, [Ni(terpy)(C5O5)(H2O)]·H2O and [Ni(terpy)2](NO3)2·0.5H2O

2005

Abstract The new mononuclear complexes [Cu(phen)(C5O5)(H2O)]·H2O (1), [Ni(terpy)(C5O5)(H2O)]·H2O (2) and [Ni(terpy)2](NO3)2·0.5H2O (3) [phen=1,10-phenanthroline, C 5 O 5 2 − =dianion of the 4,5-dihydroxycyclopent-4-ene-1,2,3-trione and terpy=2,2′:6′,2″-terpyridine] have been synthesized and characterized by single-crystal X-ray diffraction. The copper atom of 1 has a distorted square pyramidal environment with two phen-nitrogen and two croconate-oxygen atoms building the equatorial plane and a water molecule in the apical position. The nickel atom of 2 exhibits a distorted NiN3O3 octahedral coordination, which may be described either as tetragonally compressed or as skewed trapezoidal bipyr…

ChemistryOrganic Chemistrychemistry.chemical_elementCrystal structureSquare pyramidal molecular geometryAnalytical ChemistryInorganic ChemistryBipyramidCrystallographyTetragonal crystal systemNickelOctahedronAtomMoleculeSpectroscopyJournal of Molecular Structure
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Self-assembly, binding ability and magnetic properties of dicopper(ii) pyrazolenophanes

2016

A novel series of dinuclear copper(II) pyrazolenophanes of the formula [Cu2(μ-4-Mepz)2(μ-ClO4)(ClO4)(bpm)2] (1), [Cu2(μ-pz)2(μ-H2O)(ClO4)(4,7-Me2phen)2]ClO4·H2O·CH3CN (2), [Cu2(μ-pz)2(μ-H2O)(ClO4)3/2(H2O)1/2(phen)2]2[Cu2(μ-pz)2(μ-ClO4)(ClO4)2(phen)2]·8H2O (3), and [Cu2(μ-pz)2(CH3CN)2(3,4,7,8-Me4phen)2](ClO4)2 (4) (Hpz = pyrazole, H-4-Mepz = 4-methylpyrazole, bpm = 2,2'-bipyrimidine, phen = 1,10-phenanthroline, 4,7-Me2phen = 4,7-dimethyl-1,10-phenanthroline, and 3,4,7,8-Me4phen = 3,4,7,8-tetramethyl-1,10-phenanthroline) have been synthesized and magneto-structurally investigated. The crystal structures of 1–4 contain bis(pyrazolate)(perchlorate)- (1 and 3), bis(pyrazolate)(aqua)- (2 and 3), …

Denticity010405 organic chemistryStereochemistryGeneral ChemistryCrystal structurePyrazole010402 general chemistryCondensed Matter Physics01 natural sciencesMagnetic susceptibility0104 chemical scienceschemistry.chemical_compoundBinding abilityPerchlorateCrystallographychemistryMoleculeGeneral Materials ScienceSelf-assemblyCrystEngComm
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Dicopper(II) pyrazolenophanes: Ligand effects on their structures and magnetic properties

2016

Abstract The use of simple pyrazolate anions and related polychelating acyclic or macrocyclic pyrazolate derivatives as bridging ligands, and occasionally additional blocking ligands, has led to the stereospecific Cu II -mediated self-assembly of both homo- and heteroleptic di-μ-pyrazolatodicopper(II) complexes of the metallacyclophane type, so-called dicopper(II) pyrazolenophanes. Besides their unique molecular conformation features and binding abilities toward both neutral molecules and charged anionic species, which have illustrated the putative role of weak intramolecular π–π stacking, hydrogen bonding, and coordinative interactions in the self-assembling process, dicopper(II) pyrazolen…

010405 organic chemistryHydrogen bondStereochemistryChemistryLigandStacking010402 general chemistry01 natural sciencesInductive couplingPlanarity testing0104 chemical sciencesInorganic ChemistryMetalvisual_artIntramolecular forceMaterials Chemistryvisual_art.visual_art_mediumMoleculePhysical and Theoretical ChemistryCoordination Chemistry Reviews
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CCDC 878930: Experimental Crystal Structure Determination

2018

Related Article: M. Luisa Calatayud, Marta Orts-Arroyo, Miguel Julve, Francesc Lloret, Nadia Marino, Giovanni De Munno, Rafael Ruiz-García, Isabel Castro|2018|J.Coord.Chem.|71|657|doi:10.1080/00958972.2017.1421950

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametershexakis(35-dimethyl-1H-pyrazole)-[mu-ethanedioato]-di-copper(ii) bis(perchlorate) dihydrateExperimental 3D Coordinates
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CCDC 987581: Experimental Crystal Structure Determination

2014

Related Article: Isabel Castro, M. Luisa Calatayud, Wdeson P. Barros, José Carranza, Miguel Julve, Francesc Lloret, Nadia Marino, and Giovanni De Munno|2014|Inorg.Chem.|53|5759|doi:10.1021/ic500544n

Space GroupCrystallographyCrystal Systemcatena-[(mu~2~-22'-bipyrimidine)-(mu~2~-35-dimethylpyrazolato-N:N')-(mu~2~-hydroxo)-bis(35-dimethyl-1H-pyrazole)-di-copper diperchlorate]Crystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1047962: Experimental Crystal Structure Determination

2015

Related Article: Wdeson P. Barros, M. Luisa Calatayud, Francesc Lloret, Miguel Julve, Nadia Marino, Giovanni De Munno, Humberto O. Stumpf, Rafael Ruiz-García, Isabel Castro|2016|CrystEngComm|18|437|doi:10.1039/C5CE02058A

Space GroupCrystallographybis(mu2-4-Methylpyrazolato-NN')-(mu2-perchlorato-OO)-(22'-bipyrimidine-NN')-(perchlorato-O)-di-copperCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 987580: Experimental Crystal Structure Determination

2014

Related Article: Isabel Castro, M. Luisa Calatayud, Wdeson P. Barros, José Carranza, Miguel Julve, Francesc Lloret, Nadia Marino, and Giovanni De Munno|2014|Inorg.Chem.|53|5759|doi:10.1021/ic500544n

catena-[(mu~2~-aqua)-(mu~2~-22'-bipyrimidine)-(mu~2~-3-methylpyrazolato-N:N')-(mu~2~-3-methylpyrazolato-N':N)-di-copper diperchlorate dihydrate]Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1047964: Experimental Crystal Structure Determination

2015

Related Article: Wdeson P. Barros, M. Luisa Calatayud, Francesc Lloret, Miguel Julve, Nadia Marino, Giovanni De Munno, Humberto O. Stumpf, Rafael Ruiz-García, Isabel Castro|2016|CrystEngComm|18|437|doi:10.1039/C5CE02058A

(mu2-Aqua)-(mu2-pyrazolato-NN')-bis(47-dimethyl-110-phenanthroline-NN')-di-copper(ii) diperchlorate acetonitrile solvate monohydrateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1047963: Experimental Crystal Structure Determination

2015

Related Article: Wdeson P. Barros, M. Luisa Calatayud, Francesc Lloret, Miguel Julve, Nadia Marino, Giovanni De Munno, Humberto O. Stumpf, Rafael Ruiz-García, Isabel Castro|2016|CrystEngComm|18|437|doi:10.1039/C5CE02058A

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis((mu2-Aqua)-bis(pyrazolato-NN')-bis(110-phenanthroline)-di-copper(ii)) (mu2-perchlorato)-bis(mu2-pyrazolato)-(perchlorato-O)-bis(110-phenanthroline)-di-copper triperchlorate hexahydrateExperimental 3D Coordinates
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CCDC 987579: Experimental Crystal Structure Determination

2014

Related Article: Isabel Castro, M. Luisa Calatayud, Wdeson P. Barros, José Carranza, Miguel Julve, Francesc Lloret, Nadia Marino, and Giovanni De Munno|2014|Inorg.Chem.|53|5759|doi:10.1021/ic500544n

Space GroupCrystallographyCrystal Systemcatena-[(mu~2~-aqua)-(mu~2~-22'-bipyrimidine)-bis(mu~2~-pyrazolato)-aqua-(perchlorato)-di-copper perchlorate dihydrate]Crystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 2076621: Experimental Crystal Structure Determination

2021

Related Article: Isabel Castro, M. Luisa Calatayud, Marta Orts-Arroyo, Nicolás Moliner, Nadia Marino, Francesc Lloret, Rafael Ruiz-García, Giovanni De Munno, Miguel Julve|2021|Molecules|26|2792|doi:10.3390/molecules26092792

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterstris(mu-oxalato)-hexadecakis(345-trimethyl-1H-pyrazole)-diaqua-hexa-copper(ii) hexakis(perchlorate) hexahydrateExperimental 3D Coordinates
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CCDC 1047965: Experimental Crystal Structure Determination

2015

Related Article: Wdeson P. Barros, M. Luisa Calatayud, Francesc Lloret, Miguel Julve, Nadia Marino, Giovanni De Munno, Humberto O. Stumpf, Rafael Ruiz-García, Isabel Castro|2016|CrystEngComm|18|437|doi:10.1039/C5CE02058A

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(mu2-Pyrazolato-NN')-bis(acetonitrile)-bis(3478-tetramethyl-110-phenanthroline-NN')-di-copper(ii) diperchlorateExperimental 3D Coordinates
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CCDC 1577623: Experimental Crystal Structure Determination

2018

Related Article: M. Luisa Calatayud, Marta Orts-Arroyo, Miguel Julve, Francesc Lloret, Nadia Marino, Giovanni De Munno, Rafael Ruiz-García, Isabel Castro|2018|J.Coord.Chem.|71|657|doi:10.1080/00958972.2017.1421950

[mu-ethanedioato]-hexakis(345-trimethyl-1H-pyrazole)-di-copper(ii) diperchlorate dihydrateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 2076622: Experimental Crystal Structure Determination

2021

Related Article: Isabel Castro, M. Luisa Calatayud, Marta Orts-Arroyo, Nicolás Moliner, Nadia Marino, Francesc Lloret, Rafael Ruiz-García, Giovanni De Munno, Miguel Julve|2021|Molecules|26|2792|doi:10.3390/molecules26092792

Space GroupCrystallographyCrystal SystemCrystal Structurecatena-[[mu-oxalato]-hexakis(4-methyl-1H-pyrazole)-bis(perchlorato)-di-copper(ii)]Cell ParametersExperimental 3D Coordinates
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