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280 results on '"Poyatos, Macarena"'

3. Lone‐Pair‐π Bond Strength Unveiled by a Combined Experimental and Computational Study.

Author

Gutiérrez‐Peña, Cristian L., Gutiérrez‐Blanco, Ana, Gusev, Dmitry G., Poyatos, Macarena, and Peris, Eduardo

Abstract

A series of naphthalene‐diimide (NDI) and perylene‐diimide (PDI) connected bis‐N‐heterocyclic carbene complexes of iridium(III) have been prepared and fully characterized. The analysis of their NMR spectroscopic features, together with their molecular structures show that these species display lone‐pair‐π interactions between the chloride ligands of the Ir(III) complex and the heterocycles of the NDI/PDI moieties. The detection of this type of interaction in solution is due to the formation of two atropisomers, which are formed as a result of the restricted rotation about the Ir−Ccarbene bond imposed by the (Cl)lp⋅⋅⋅π interaction. Variable‐temperature 1H NMR analysis allowed the determination of the strength of this non‐covalent interaction, which lies between ΔH=6.6 and 10 kcal/mol. The computational studies performed fully support the experimental findings. [ABSTRACT FROM AUTHOR]

Published
2024
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12. Redox-Switchable Complexes Based on Nanographene-NHCs

Author

Ruiz Zambrana, César Luís, Dubey, Rajeev K., Poyatos, Macarena, Mateo-Alonso, Aurelio, Peris, Eduardo, Ruiz Zambrana, César Luís, Dubey, Rajeev K., Poyatos, Macarena, Mateo-Alonso, Aurelio, and Peris, Eduardo

Abstract

[EN] A series of rhodium and iridium complexes with a N-heterocyclic carbene (NHC) ligand decorated with a perylene-diimide-pyrene moiety are described. Electrochemical studies reveal that the complexes can undergo two successive one-electron reduction events, associated to the reduction of the PDI moiety attached to the NHC ligand. The reduction of the ligand produces a significant increase on its electron-donating character, as observed from the infrared spectroelectrochemical studies. The rhodium complex was tested in the [3+2] cycloaddition of diphenylcyclopropenone and methylphenylacetylene, where it displayed a redox-switchable behavior. The neutral complex showed moderate activity, which was suppressed when the catalyst was reduced.

Published
2022

17. Synthesis and Properties of Chelating N-Heterocyclic Carbene Rhodium(I) Complexes: Synthetic Experiments in Current Organometallic Chemistry

Author

Mata, Jose A., Poyatos, Macarena, and Mas-Marza, Elena

Abstract

The preparation and characterization of two air-stable Rh(I) complexes bearing a chelating N-heterocyclic carbene (NHC) ligand is described. The synthesis involves the preparation of a Ag(I)-NHC complex and its use as carbene transfer agent to a Rh(I) precursor. The so obtained complex can be further reacted with carbon monoxide to give the corresponding carbonyl derivative. The students will be able to identify the products using standard characterization techniques such as NMR and IR spectroscopy. The required equipment is typically available in most of the standard laboratories for undergraduate students. (Contains 2 figures and 3 schemes.)

Published
2011
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25. Tetra-Au(I) complexes bearing a pyrene tetraalkynyl connector behave as fluorescence torches

Author

Universidad Jaime I, Ministerio de Economía y Competitividad (España), Fernández-Moreira, Vanesa [0000-0002-1218-7218], Gimeno, M. Concepción [0000-0003-0553-0695], Peris, Eduardo [0000-0001-9022-2392], Poyatos, Macarena [0000-0003-2000-5231], Gutiérrez-Blanco, Ana, Fernández-Moreira, Vanesa, Gimeno, M. Concepción, Peris, Eduardo, Poyatos, Macarena, Universidad Jaime I, Ministerio de Economía y Competitividad (España), Fernández-Moreira, Vanesa [0000-0002-1218-7218], Gimeno, M. Concepción [0000-0003-0553-0695], Peris, Eduardo [0000-0001-9022-2392], Poyatos, Macarena [0000-0003-2000-5231], Gutiérrez-Blanco, Ana, Fernández-Moreira, Vanesa, Gimeno, M. Concepción, Peris, Eduardo, and Poyatos, Macarena

Abstract

A pyrene tetraalkynyl ligand has been used for the preparation of three different tetraalkynyl Au(I) complexes. Two of these complexes display fluorescent emission in CH2Cl2 solution, with quantum yields exceeding 90%. Although the emission is mainly due to ligand-centered excited states, the presence of the metal center is key to reaching such excellent quantum yield values, providing an extra rigidity to the system and therefore, minimizing the nonradiative deactivation pathways. To the best of our knowledge, these quantum yields lie among the highest reported for metal-based luminophores in solution, a quality that makes them resemble molecular torches. Preliminary studies on healthy cheek cells show that one of the complexes is efficiently and rapidly taken up into the cell.

Published
2018

26. Supramolecular self-assembly structures from a di-Au(I) complex with a hinge-shaped ligand

Author

Ibáñez, Susana, Peris, Eduardo, Poyatos, Macarena, and Gutiérrez-Blanco, Ana

Subjects
supramolecular structures
Abstract

Póster presentado en la XXXVII Reunión Bienal de la Real Sociedad Española de Química, celebrada en Donostia-San Sebastián (Spain) del 26 al 30 de mayo de 2019. Among N-heterocyclic carbenes (NHCs), polytopic NHC ligands have emerged as promising tools in the design of supramolecular structures.1 In this regard, our group of research designed fusedbis(imidazolinylidene) ligands with folded geometry and reported their coordination to Rh and Ir,2-3 and Pd.3 More recently, one of these hinge-shaped ligands allowed us to prepare the Au(I)-based dimetallic complex 1 (Scheme 1).

Published
2019

36. Acetylacetonate anchors for robust functionalization of Ti[O.sub.2] nanoparticles with Mn(II)-terpyridine complexes

Author

McNamara, William R., Snoeberger, Robert C., III, Li Gonghu, Schleicher, James M., Cady, Clyde W., Poyatos, Macarena, Schmuttenmaer, Charles A., Crabtree, Robert H., Brudvig, Gary W., and Batista, Victor S.

Subjects
Acetone -- Chemical properties, Manganese -- Chemical properties, Organometallic compounds -- Structure, Organometallic compounds -- Chemical properties, Oxidation-reduction reaction -- Analysis, Pyridine -- Chemical properties, Titanium dioxide -- Chemical properties, Chemistry
Abstract

The synthesis and properties of a novel class of acetylacetonate (acac) anchors for robust functionalization of Ti[O.sub.2] nanoparticles with Mn(II)-terpyridine complexes under aqueous and oxidative conditions are discussed. The resulting surface adsorbate anchors are shown to be widely used in several photocatalytic and photovoltaic devices.

Published
2008

41. Carbene complexes of rhodium and iridium from tripodal N-heterocyclic carbene ligands: Synthesis and catalytic properties

Author

Mas-Marza, Elena, Poyatos, Macarena, Sanau, Mercedes, and Peris, Eduardo

Subjects
Ethanes -- Chemical properties, Transition metal complexes -- Chemical properties, Rhodium -- Chemical properties, Chemistry
Abstract

The synthesis and reactivity of new rhodium (Rh) and iridium (Ir) complexes with [1,1,1-tris(3-butylimidazol-2-ylidene)methyl]ethane (TIME(super Bu)) is reported. The crystal structures of two of the rhodium complexes are reported and the catalytic activity for the homogeneous hydrosilylation of alkynes is also described.

Published
2004

42. Synthesis and reactivity of new Chelate-N-Heterocyclic biscarbene complexes of Ruthenium

Author

Poyatos, Macarena, Mas-Marza, Elena, Sanau, Mercedes, and Peris, Eduardo

Subjects
Ruthenium -- Analysis, Ruthenium -- Chemical properties, Chemical reactions -- Analysis, Chemical compounds -- Analysis, Chemistry
Abstract

The preparation of new Ru(II) -pcymene complexes are used with two carbene-ligand precursors, methylenebis(N-alkylimidazolium) iodide (alkyl = methyl, neo-pentyl) and ethylenebis(N-methylimidazoluim) chloride. The data reports the reasons that determine the reactivity and synthetic difficulties of the product.

Published
2004

43. New Rh(I) and Rh(III) bisimidazol-2-ylidene complexes: synthesis, reactivity, and molecular structures

Author

Poyatos, Macarena, Sanau, Mercedes, and Peris, Eduardo

Subjects
Chemistry, Inorganic -- Research, Inorganic compounds -- Composition, Coordination compounds -- Composition, Reactivity (Chemistry) -- Analysis, Molecules, Rhodium, Chemistry
Abstract

Research has been conducted on Rh(I) and Rh(III) chelate bis-heterocyclic-carbene complexes. The authors report the production of these complexes, their characterization and the determination of their molecular structures.

Published
2003

46. Empleo del visualizador gráfico Jmol en las clases de simetría molecular

Author

Poyatos, Macarena and Julian-Lopez, Beatriz

Subjects
molecular symmetry, character table, simetría molecular, interfaz gráfica, symmetry operations, operaciones de simetría, elementos de simetría, symmetry elements, Jmol, graphic interface
Abstract

El presente trabajo divulga la innovación educativa que se ha desarrollado en la asignatura Química Inorgánica III (QU0924) del tercer curso del Grado en Química en el curso académico 2013/2014, de la Universitat Jaume I (Castellón, España). El objetivo fundamental de nuestro proyecto era dotar a los estudiantes de material didáctico interactivo y diferente, para un mejor aprendizaje de conceptos fundamentales de simetría molecular. En particular, los estudiantes fueron introducidos en el manejo de la interfaz gráfica Jmol, con la que se pueden construir y visualizar modelos tridimensionales. This article reports the educational innovation that has been implemented in the subject Inorganic Chemistry III (QU0924) of the third year of the Chemistry Degree, during the academic year 2013/2014 at the Universitat Jaume I (Castellón, Spain). The main goal of our project was to provide the students with interactive and new didactic material, for a better understanding of the fundamental concepts of molecular symmetry. In particular, the students were introduced to the use of the Jmol graphic interface, very useful for constructing and visualize three-dimensional models.

Published
2014

50. Can the disproportion of oxidation state III be favored in Ru(super II)-OH(sub 2)/Ru(super IV)=O systems?

Author

Masllorens, Ester, Rodriguez, Montserrat, Romero, Isabel, Roglans, Anna, Parella, Teodor, Benet-Buchholz, Jordi, Poyatos, Macarena, and Llobet, Antoni

Subjects
Oxidation-reduction reaction -- Analysis, Ruthenium -- Chemical properties, Isomerization -- Analysis, Pyridine -- Chemical properties, Styrene -- Chemical properties, Chemistry
Abstract

Reaction mechanisms for the oxidations of several substrates by Ru(super IV) = O was established and catalytic oxidations systems were described to get an insight into the rich oxidative properties of the Ru(super IV) = O species. The results show inverse correlation between the ratio of cis/trans epoxide isomerization in the catalytic oxidation of cis-beta-methylstyrene and (DELTA)E(sub 1/2) and only traces of the trans epoxide were formed when using cis-2 and trans-2 complexes as catalysts, demonstrating that the process was highly stereoselective.

Published
2006

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