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UAB Digital Repository of Documents 71 records found  1 - 10nextend  jump to record: Search took 0.01 seconds. 
1.
35 p, 1.3 MB New η3-Allylpalladium Complexes with Pyridylpyrazole Ligands : Synthesis, Characterization and Study of the Influence of N1 Substituents on the Apparent Allyl Rotation / Montoya García, Vanessa (Universitat Autònoma de Barcelona. Departament de Química) ; Pons Picart, Josefina (Universitat Autònoma de Barcelona. Departament de Química) ; García-Antón, Jordi (Universitat Autònoma de Barcelona. Departament de Química) ; Solans Monfort, Xavier (Universitat Autònoma de Barcelona. Departament de Química) ; Font-Bardia, Mercè (Universitat de Barcelona. Unitat de Difracció de Raig-X) ; Ros i Badosa, Josep (Universitat Autònoma de Barcelona. Departament de Química)
The allylpalladium [Pd(η3-C3H5)(L)](BF4) (L = L1 (1), L2 (2), L3 (3), L4 (4)) complexes with pyridylpyrazole ligands 2-(5-phenyl-1H-pyrazol-3-yl)pyridine (L1), 2-(1-ethyl-5-phenyl-1H-pyrazol-3-yl)pyridine (L2), 2-(1-octyl-5-phenyl)-1H-pyrazol-3-yl)pyridine (L3), and 2-(5-phenyl-3-(pyridin-2-yl)pyrazol-1-yl)ethanol (L4) were synthesized from the appropriate pyridylpyrazole ligand and [Pd(η3-C3H5)Cl]2 in the presence of AgBF4. [...]
2007 - 10.1021/om070093u
Organometallics, Vol. 26, Issue 13 (June 2007) , p. 3183-3190  
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2.
38 p, 1.3 MB Highly Efficient Pyridylpyrazole Ligands for the Heck Reaction. A Combined Experimental and Computational Study / Montoya García, Vanessa (Universitat Autònoma de Barcelona. Departament de Química) ; Pons Picart, Josefina (Universitat Autònoma de Barcelona. Departament de Química) ; Branchadell Gallo, Vicenç (Universitat Autònoma de Barcelona. Departament de Química) ; García-Antón, Jordi (Universitat Autònoma de Barcelona. Departament de Química) ; Solans Monfort, Xavier (Universitat Autònoma de Barcelona. Departament de Química) ; Font-Bardia, Mercè (Universitat de Barcelona. Unitat de Difracció de Raig-X) ; Ros i Badosa, Josep (Universitat Autònoma de Barcelona. Departament de Química)
Several [PdCl2(L)] complexes, where L is a pyridylpyrazole ligand, have been used as precatalysts in the Heck reactions between phenyl halides and tert-butyl acrylate. The used ligands differ from each other in the substitution at N1. [...]
2008 - 10.1021/om7009182
Organometallics, Vol. 27, Issue 6 (March 2008) , p. 1084-1091  
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3.
16 p, 7.8 MB Structure directing factors and photophysical properties of five Cu(I)-iodide materials with N-donor heteroaromatic ligands / Sánchez-Férez, Francisco (Universitat Autònoma de Barcelona. Departament de Química) ; Solans Monfort, Xavier (Universitat Autònoma de Barcelona. Departament de Química) ; Rodríguez Santiago, Luis (Universitat Autònoma de Barcelona. Departament de Química) ; Calvet, Teresa (Universitat de Barcelona. Departament de Mineralogia, Petrologia i Geologia Aplicada) ; Font-Bardia, Mercè (Universitat de Barcelona. Centres Científics i Tecnològics) ; Pons Picart, Josefina (Universitat Autònoma de Barcelona. Departament de Química)
In this work, two families of Cu(I)-iodide complexes with N-heterocyclic donors ligands bearing amide, phenyl, chloro, and methyl substituents have been synthesized to combine two structural directing factors: attractive interactions and steric bulkiness. [...]
2024 - 10.1016/j.jssc.2024.124639
Journal of solid state chemistry, Vol. 333 (May 2024) , art. 124639  
Detailed record - Creative Commons
4.
13 p, 3.3 MB Ru-based nanoparticles supported on carbon nanotubes for electrocatalytic hydrogen evolution : structural and electronic effects / Romero Fernández, Nuria (Universitat Autònoma de Barcelona. Departament de Química) ; Fenoll, Didac A (Universitat Autònoma de Barcelona. Departament de Química) ; Gil Jiménez, Laia (Universitat Autònoma de Barcelona. Departament de Química) ; Campos, Sergi (Universitat Autònoma de Barcelona. Departament de Química) ; Creus, Jordi (Universitat Autònoma de Barcelona. Departament de Química) ; Martí Balaguer, Gerard (Universitat Autònoma de Barcelona. Departament de Química) ; Heras-Domingo, Javier (Universitat Autònoma de Barcelona. Departament de Química) ; Collière, Vincent (Université de Toulouse) ; Mesa, Camilo A. (Universitat Jaume I. Institut de Materials Avançats) ; Giménez, Sixto (Universitat Jaume I. Institut de Materials Avançats) ; Francàs Forcada, Laia (Universitat Autònoma de Barcelona. Departament de Química) ; Rodríguez Santiago, Luis (Universitat Autònoma de Barcelona. Departament de Química) ; Solans Monfort, Xavier (Universitat Autònoma de Barcelona. Departament de Química) ; Sodupe Roure, Mariona (Universitat Autònoma de Barcelona. Departament de Química) ; Bofill Arasa, Roger (Universitat Autònoma de Barcelona. Departament de Química) ; Philippot, Karine (Paul Université de Toulouse) ; García-Antón, Jordi (Universitat Autònoma de Barcelona. Departament de Química) ; Sala Román, Xavier (Universitat Autònoma de Barcelona. Departament de Química)
The performance of Ru-based nanoparticles (NPs) in the hydrogen evolution reaction (HER) relies on both their structural properties and the oxidation state of the metal. Herein, the versatility of the organometallic approach for the synthesis of metal-based nanostructures is combined with thermal oxidation treatments to prepare carbon-nanotube (CNT)-supported Ru-containing nanomaterials for their use as electrocatalysts after dropcasting onto a glassy carbon rotating disk electrode. [...]
2023 - 10.1039/d3qi00698k
Inorganic Chemistry Frontiers, Vol. 10, Issue 20 (June 2023) , p. 5885-5896  
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5.
12 p, 5.5 MB Influence of Capping Ligands, Solvent, and Thermal Effects on CdSe Quantum Dot Optical Properties by DFT Calculations / Fenoll, Didac A. (Universitat Autònoma de Barcelona. Departament de Química) ; Sodupe Roure, Mariona (Universitat Autònoma de Barcelona. Departament de Química) ; Solans Monfort, Xavier (Universitat Autònoma de Barcelona. Departament de Química)
Cadmium selenide nanomaterials are very important materials in photonics, catalysis, and biomedical applications due to their optical properties that can be tuned through size, shape, and surface passivation. [...]
2023 - 10.1021/acsomega.3c00324
ACS omega, Vol. 8, Num. 12 (March 2023) , p. 11467-11478  
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6.
218 p, 3.2 MB Organocatalytic vs. Ru-based electrochemical hydrogenation of nitrobenzene in competition with the hydrogen evolution reaction / Moya, Alicia (Universidad Autónoma de Madrid. Departamento de Química Inorgánica) ; Creus, Jordi (Universitat Autònoma de Barcelona. Departament de Química) ; Romero Fernández, Nuria (Universitat Autònoma de Barcelona. Departament de Química) ; Aleman Lara, Jose Julian (Universidad Autónoma de Madrid. Departamento de Química Orgánica) ; Solans Monfort, Xavier (Universitat Autònoma de Barcelona. Departament de Química) ; Philippot, Karine (Centre National de la Recherche Scientifique. Université de Toulouse. Laboratoire de Chimie de Coordination) ; García-Antón, Jordi (Universitat Autònoma de Barcelona. Departament de Química) ; Sala Román, Xavier (Universitat Autònoma de Barcelona. Departament de Química) ; Mas Balleste, Ruben (Universidad Autónoma de Madrid. Departamento de Química Inorgánica)
The electrochemical reduction of organic contaminants allows their removal from water. In this contribution, the electrocatalytic hydrogenation of nitrobenzene is studied using both oxidized carbon fibres and ruthenium nanoparticles supported on unmodified carbon fibres as catalysts. [...]
2020 - 10.1039/D0DT01075H
Dalton transactions, Vol. 49, Issue 19 (May 2020), p. 6446-6456  
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7.
4 p, 101.5 KB Tècniques de Simulació [43440] / Cartoixà Soler, Xavier ; Torres Canals, Francisco ; Masgrau Fontanet, Laura ; Solans Monfort, Xavier ; Universitat Autònoma de Barcelona. Facultat de Ciències
Introducció a l'ús de software pel càlcul de propietats físiques i químiques a la nanoescala, i perspectiva dels formalismes subjacents.
Introduction to the use of software devoted to the calculation of physical and chemical properties at the nanoscale, and overview of the underlying formalisms.
Introducción al uso de software para el cálculo de propiedades físicas y químicas en la nanoescala, y perspectiva de los formalismos subyacentes.
2023-24
Màster Universitari en Nanociència i Nanotecnologia Avançades/ Advanced Nanoscience and Nanotechnology [1360]
3 documents
Detailed record - Creative Commons
8.
44 p, 18.8 MB Interaction between Ruthenium Oxide Surfaces and Water Molecules. Effect of Surface Morphology and Water Coverage / Heras-Domingo, Javier (Universitat Autònoma de Barcelona. Departament de Química) ; Sodupe Roure, Mariona (Universitat Autònoma de Barcelona. Departament de Química) ; Solans Monfort, Xavier (Universitat Autònoma de Barcelona. Departament de Química)
RuO2 is a conducting transition metal oxide that has unique redox properties to be used as heterogeneous catalyst for oxidation reactions as well as in electrocatalysis. Furthermore, it has been reported to be an excellent catalyst for the oxygen evolution reaction, a key step for obtaining energy from water through environmentally friendly processes. [...]
2019 - 10.1021/acs.jpcc.8b06438
Journal of physical chemistry. C, Vol. 123, Issue 13 (April 2019) , p. 7786-7798  
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9.
6 p, 1.1 MB A Hg(i) corrugated sheet assembled by auxiliary dioxole groups and Hg⋯π interactions / Sánchez Férez, Francisco (Universitat Autònoma de Barcelona. Departament de Química) ; Solans Monfort, Xavier (Universitat Autònoma de Barcelona. Departament de Química) ; Calvet, Teresa (Universitat de Barcelona. Departament de Mineralogia, Petrologia i Geologia Aplicada) ; Font-Bardia, Mercè (Universitat de Barcelona. Centres Científics i Tecnològics) ; Pons Picart, Josefina (Universitat Autònoma de Barcelona. Departament de Química)
The formation of a new double-stranded staircase Hg(i) supramolecular assembly is reported. It is arranged into 2D corrugated sheets supported by Hg(i)⋯Odioxole and Hg⋯π interactions, resulting from the comproportionation reaction between Hg(ii) and Hg(0) species in DMF as a solvent.
2022 - 10.1039/d2ce00347c
CrystEngComm, Vol. 24, Issue 24 (June 2022) , p. 4351-4355  
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10.
7 p, 1.7 MB Synthesis of Vanadium Oxo Alkylidene Complex and Its Reactivity in Ring-Closing Olefin Metathesis Reactions / Belov, Dmitry S. (Florida International University. Department of Chemistry and Biochemistry) ; Fenoll, Didac A. (Universitat Autònoma de Barcelona. Departament de Química) ; Chakraborty, Indranil (Florida International University. Department of Chemistry and Biochemistry) ; Solans Monfort, Xavier (Universitat Autònoma de Barcelona. Departament de Química) ; Bukhryakov, Konstantin V. (Florida International University. Department of Chemistry and Biochemistry)
V imido alkylidenes have been applied for the ring-opening metathesis polymerization involving cyclic olefins. However, those complexes found limited application in reactions with acyclic terminal olefins due to instability toward ethylene. [...]
2021 - 10.1021/acs.organomet.1c00425
Organometallics, Vol. 40, Issue 17 (September 2021) , p. 2939-2944  
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