0000000000243270

AUTHOR

Laura Acosta-rueda

showing 11 related works from this author

Trapping a Highly Reactive Nonheme Iron Intermediate That Oxygenates Strong C—H Bonds with Stereoretention

2015

An unprecedentedly reactive iron species (2) has been generated by reaction of excess peracetic acid with a mononuclear iron complex [FeII(CF3SO3)2(PyNMe3)] (1) at cryogenic temperatures, and characterized spectroscopically. Compound 2 is kinetically competent for breaking strong C-H bonds of alkanes (BDE ≈ 100 kcal·mol-1) through a hydrogen-atom transfer mechanism, and the transformations proceed with stereoretention and regioselectively, responding to bond strength, as well as to steric and polar effects. Bimolecular reaction rates are at least an order of magnitude faster than those of the most reactive synthetic high-valent nonheme oxoiron species described to date. EPR studies in tande…

Steric effectsStereochemistry010402 general chemistry01 natural sciencesBiochemistryMedicinal chemistryChemical reactionCatalysisReaccions químiquesCatalysislaw.inventionIron -- ReactivityReaction rateColloid and Surface ChemistrylawChemical reactionsReactivity (chemistry)Electron paramagnetic resonanceAlkylFerro -- Reactivitatchemistry.chemical_classification010405 organic chemistryLigandGeneral Chemistry0104 chemical scienceschemistryJournal of the American Chemical Society
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Correlation between the molecular structure and the kinetics of decomposition of azamacrocyclic copper(II) complexes

2015

The formation of copper(II) complexes with symmetrical dinucleating macrocyclic ligands containing two either monomethylated (L1) or trimethylated (L2) diethylenetriamine (Medien or Me3dien) subunits linked by pyridine spacers has been studied by potentiometry. Potentiometric studies show that L1 has larger basicity than L2 as well as higher stability of its mono- and binuclear complexes. The crystal structures of L1·6HCl (1), [Cu2(L1)Cl2](CF3SO3)2 (2), [Cu2(L1)(OH)](ClO4)3·3H2O (3) and [Cu(L1)](ClO4)2 (4) show that L1 adopts different coordination modes when bound to copper(II). Whereas in 2, each copper(II) is bound to one Medien subunit and to one pyridine group, in 3 each metal center i…

StereochemistryChemistryLigandchemistry.chemical_elementProtonationCrystal structureCopperDecompositionInorganic Chemistrychemistry.chemical_compoundCrystallographyPyridineDiethylenetriamineMolecule
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Iron(II) Complexes with Scorpiand-Like Macrocyclic Polyamines: Kinetico-Mechanistic Aspects of Complex Formation and Oxidative Dehydrogenation of Coo…

2017

The Fe(II) coordination chemistry of a pyridinophane tren-derived scorpiand type ligand containing a pyridine ring in the pendant arm is explored by potentiometry, X-ray, NMR, and kinetics methods. Equilibrium studies in water show the formation of a stable [FeL]2+ complex that converts to monoprotonated and monohydroxylated species when the pH is changed. A [Fe(H–2L)]2+ complex containing an hexacoordinated dehydrogenated ligand has been isolated, and its crystal structure shows the formation of an imine bond involving the aliphatic nitrogen of the pendant arm. This complex is low spin Fe(II) both in the solid state and in solution, as revealed by the Fe–N bond lengths and by the NMR spect…

chemistry.chemical_classificationAqueous solution010405 organic chemistryLigandImineInorganic chemistryCrystal structure010402 general chemistry01 natural sciences0104 chemical sciencesCoordination complexInorganic ChemistryNMR spectra databasechemistry.chemical_compoundchemistryPolymer chemistryPyridineDehydrogenationPhysical and Theoretical ChemistryInorganic chemistry
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Equilibrium, Kinetic, and Computational Studies on the Formation of Cu2+ and Zn2+ Complexes with an Indazole-Containing Azamacrocyclic Scorpiand: Evi…

2015

Cu(2+) and Zn(2+) coordination chemistry of a new member of the family of scorpiand-like macrocyclic ligands derived from tris(2-aminoethyl)amine (tren) is reported. The new ligand (L1) contains in its pendant arm not only the amine group derived from tren but also a 6-indazole ring. Potentiometric studies allow the determination of four protonation constants. UV-vis and fluorescence data support that the last protonation step occurs on the indazole group. Equilibrium measurements in the presence of Cu(2+) and Zn(2+) reveal the formation of stable [ML1](2+), [MHL1](3+), and [ML1(OH)](+) complexes. Kinetic studies on the acid-promoted decomposition of the metal complexes were carried out usi…

Models Molecularchemistry.chemical_classificationAza CompoundsIndazoleIndazolesMacrocyclic CompoundsMolecular StructureLigandPotentiometric titrationProtonationPhotochemistryMedicinal chemistryTautomerCoordination complexInorganic ChemistryKineticsZincchemistry.chemical_compoundchemistryOrganometallic CompoundsQuantum TheoryMoleculeAmine gas treatingPhysical and Theoretical ChemistryCopper
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CCDC 1009322: Experimental Crystal Structure Determination

2015

Related Article: Laura Acosta-Rueda, Estefanía Delgado-Pinar, Javier Pitarch-Jarque, Alexis Rodríguez, Salvador Blasco, Jorge González, Manuel G. Basallote, Enrique García-España|2015|Dalton Trans.|44|8255|doi:10.1039/C5DT00408J

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters620-Dimethyl-2930-diaza-369172023-hexaazoniatricyclo[23.3.1.11115]triaconta-1(29)11(30)12142527-hexaene hexachloride hexahydrateExperimental 3D Coordinates
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CCDC 1521794: Experimental Crystal Structure Determination

2017

Related Article: M. Paz Clares, Laura Acosta-Rueda, Carmen E. Castillo, Salvador Blasco, Hermas R. Jiménez, Enrique García-España, and Manuel G. Basallote|2017|Inorg.Chem.|56|4400|doi:10.1021/acs.inorgchem.6b03070

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(1-(pyridin-2-yl)-N-(2-(36915-tetraazabicyclo[9.3.1]pentadeca-1(15)1113-trien-6-yl)ethyl)methanimine)-iron diperchlorateExperimental 3D Coordinates
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CCDC 1009323: Experimental Crystal Structure Determination

2015

Related Article: Laura Acosta-Rueda, Estefanía Delgado-Pinar, Javier Pitarch-Jarque, Alexis Rodríguez, Salvador Blasco, Jorge González, Manuel G. Basallote, Enrique García-España|2015|Dalton Trans.|44|8255|doi:10.1039/C5DT00408J

Space GroupCrystallographyCrystal System(mu2-620-Dimethyl-3691720232930-octaazatricyclo[23.3.1.11115]triaconta-1(29)11(30)12142527-hexaene)-dichloro-di-copper(ii) bis(trifluoromethanesulfonate)Crystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1009325: Experimental Crystal Structure Determination

2015

Related Article: Laura Acosta-Rueda, Estefanía Delgado-Pinar, Javier Pitarch-Jarque, Alexis Rodríguez, Salvador Blasco, Jorge González, Manuel G. Basallote, Enrique García-España|2015|Dalton Trans.|44|8255|doi:10.1039/C5DT00408J

Space GroupCrystallography(620-dimethyl-3691720232930-octaazatricyclo[23.3.1.11115]triaconta-1(29)11(30)12142527-hexaene)-copper(ii) diperchlorateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1036385: Experimental Crystal Structure Determination

2016

Related Article: Joan Serrano-Plana, Williamson N. Oloo, Laura Acosta-Rueda, Katlyn K. Meier, Begoña Verdejo, Enrique García-España, Manuel G. Basallote, Eckard Münck, Lawrence Que Junior, Anna Company, and Miquel Costas|2015|J.Am.Chem.Soc.|137|15833|doi:10.1021/jacs.5b09904

Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinatesbis(trifluoromethanesulfonato)-(369-trimethyl-36915-tetraazabicyclo[9.3.1]pentadeca-1(15)1113-triene)-iron(ii)
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CCDC 1446018: Experimental Crystal Structure Determination

2016

Related Article: Joan Serrano-Plana, Williamson N. Oloo, Laura Acosta-Rueda, Katlyn K. Meier, Begoña Verdejo, Enrique García-España, Manuel G. Basallote, Eckard Münck, Lawrence Que Junior, Anna Company, and Miquel Costas|2015|J.Am.Chem.Soc.|137|15833|doi:10.1021/jacs.5b09904

Space GroupCrystallographyCrystal System(N-(hydroxy)-22-dimethylpropanamidato)-(369-trimethyl-36915-tetraazabicyclo[9.3.1]pentadeca-1(15)1113-triene)-iron(iii) diperchlorateCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1009324: Experimental Crystal Structure Determination

2015

Related Article: Laura Acosta-Rueda, Estefanía Delgado-Pinar, Javier Pitarch-Jarque, Alexis Rodríguez, Salvador Blasco, Jorge González, Manuel G. Basallote, Enrique García-España|2015|Dalton Trans.|44|8255|doi:10.1039/C5DT00408J

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(mu2-Hydroxo)-(mu2-620-dimethyl-3691720232930-octaazatricyclo[23.3.1.11115]triaconta-1(29)11(30)12142527-hexaene)-di-copper(ii) triperchlorate dihydrateExperimental 3D Coordinates
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