Ara mostrant els elements 1-20 de 1240

    Miniatura

    1,2-Arylsulfonylation of Vinyl Ethers and Esters Enabled by Dual Ni Catalysis 

    Pugnal, Lucas V. B. L.; Vega, Kimberly B.; Pissinati, Emanuele F.; Correia, José Tiago M.; Zukerman-Schpector, Julio; Martin, Ruben; Paixão, Márcio W. (2023-05-25)

    A dual photocatalytic sulfonylation-arylation of electron-rich alkenes is described. By combining sulfinate salts, (hetero)-aryl-bromides and 2,3-dihydrofuran under Ru and Ni dual catalysis, over 35 examples of aryl-sulfonylated ...

    Miniatura

    2-(4’-pyridyl-N-oxide)-Substituted Hemithioindigos as Photoresponsive Guests for a Super Aryl-Extended Calix[4]pyrrole Receptor 

    Moncelsi, Giulia; Escobar, Luis; Dube, Henry; Ballester, Pablo (2018-06-18)

    We report the synthesis of two 2-(4’-pyridyl-N-oxide)-substituted hemithioindigos. We probed their photoisomerization using UV-Vis and 1H NMR spectroscopic techniques. Light irradiation at 450 nm provoked the isomerization ...

    Miniatura

    3D-Printed Organic Conjugated Trimer for Visible-Light-Driven Photocatalytic Applications 

    Yuan, Xiaojiao; Sunyer-Pons, Neus; Terrado, Aleix; León, José Luis; Hadziioannou, Georges; Cloutet, Eric; Villa, Katherine (2023-02-20)

    Small molecule organic semiconductors (SMOSs) have emerged as a new class of photocatalysts that exhibit visible light absorption, tunable bandgap, good dispersion, and solubility. However, the recovery and reusability of ...

    Miniatura

    5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes 

    Etayo, Pablo; Escudero-Adán, Eduardo C.; Pericàs, Miquel A. (2017-09-28)

    The design and development of 5,5’-bistriazoles featuring aminomethyl substituents is discussed. An efficient synthetic procedure for the selective preparation of 4,4’-bis(aminomethyl)-5,5’-bistriazoles from commercially ...

    Miniatura

    9‐Cobalt(II)-Containing 27-Tungsto-3-germanate(IV): Synthesis, Structure, Computational Modeling, and Heterogeneous Water Oxidation Catalysis 

    Haider, Ali; Bassil, Bassem S.; Soriano-Lopez, Joaquín; Qasim, Hafiz M.; Saenz de Pipaon, Cristina; Ibrahim, Masooma; Dutta, Daipayan; Koo, Yong-Sun; Carbo, Jorge J.; Poblet, Josep M.; Galan-Mascaros, José Ramoń; Kortz, Ulrich (2019-08-14)

    The 9-cobalt(II)-containing trimeric, cyclic polyanion [Co9(OH)3(H2O)6(PO4)2(B-α-GeW9O34)3]21− (1) was synthesized in an aqueous phosphate solution at pH 8 and isolated as a hydrated mixed sodium−cesium salt. Polyanion ...

    A Bimolecular Diels–Alder Reaction Mediated by Inclusion in a Polar Bis-calix[4]pyrrole Octa-Imine Cage 

    Huang, Jiaming; Ballester, Pablo (2025-04-08)

    We describe using a dynamically self-assembled octa-imine cage as a molecular flask to accelerate a bimolecular Diels–Alder reaction. We investigate the cage’s binding properties using 1H NMR spectroscopic titrations, ITC ...

    Miniatura

    A Biosourced Epoxy Resin for Adhesive Thermoset Applications 

    Moreira, Vitor B.; Alemán, Carlos; Rintjema, Jeroen; Bravo, Fernando; Kleij, Arjan; Armelin, Elaine (2022-02-21)

    Miniatura

    A bpp-based dinuclear ruthenium photocatalyst for visible light-driven oxidation reactions 

    Hennessey, Seán; Farràs, Pau; Benet-Buchholz, Jordi; Llobet, Antoni (2019-11-05)

    A diruthenium dyad molecule consisting of a 2,2-(1H-pyrazole-3,5-diyl)dipyridine (Hbpp) bridging ligand with the formula out-/in-[(bpy)2Ru(bpp)Ru(L)(tpy)]n+ (bpy = 2,2′-bipyridine, tpy = 2,2′:6′,2′′-terpyridine, L = Cl, ...

    Miniatura

    A broad view at the complexity involved in water oxidation catalysis based on Ru-bpn complexes 

    Ghaderian, Abolfazl; Franke, Alicja; Gil-Sepulcre, Marcos; Benet-Buchholz, Jordi; Llobet, Antoni; Ivanovic ́-Burmazovic ́, Ivana; Gimbert-Suriñach, Carolina (2020-11-03)

    A new Ru complex with the formula [Ru(bpn)(pic)2]Cl2 (where bpn is 2,2′-bi(1,10-phenanthroline) and pic stands for 4-picoline) (1Cl2) is synthesized to investigate the true nature of active species involved in the ...

    Miniatura

    A Chiral Bipyrimidine-Bridged Dy2 SMM: A Comparative Experimental and Theoretical Study of the Correlation Between the Distortion of the DyO6N2 Coordination Sphere and the Anisotropy Barrier 

    Díaz-Ortega, Ismael F.; Herrera, Juan Manuel; Reyes Carmona, Álvaro; Galán-Mascarós, José Ramón; Dey, Sourav; Nojiri, Hiroyuki; Rajaraman, Gopalan; Colacio, Enrique (2018-11-08)

    Chiral bipyrimidine-bridged dinuclear LnIII complexes of general formula [(μ-bipym){((+)-tfacam)3Ln}2] and [(μ-bipym){((-)-tfacam)3Ln}2], have been prepared from the assembly of Ln(AcO)3·nH2O (LnIII = Dy, Gd), (+)/(−)-3- ...

    Miniatura

    A computational search of the ideal metal fragment for monohapto coordination of dihydrogen 

    Morán-González, Lucía; Maseras, Feliu (2023-09-21)

    Sigma complexes containing η2-H2 ligands, with both hydrogen atoms interacting with the metal center and with each other, are well known nowadays. The possibility of η1-H2 coordination, with only one hydrogen atom interacting ...

    Miniatura

    A Coupled Density Functional Theory−Microkinetic Modeling for the Hydrodeoxygenation of Glycerol to Propylene on MoO3 

    Rellán-Piñeiro, Marcos; López, Núria (2018-11-01)

    The production of propylene from renewable resources might be relevant to provide this compound in a scenario of scarcity due to the use of shale gas as a raw material. In the present, work we provide a full density ...

    Miniatura

    A Database of the Structural and Electronic Properties of Prussian Blue, Prussian White, and Berlin Green Compounds through Density Functional Theory 

    Hegner, Franziska Simone; Galań-Mascaroś, José Ramoń; Loṕez, Nuria (2016-12-06)

    Prussian blue and its related compounds are formed by cheap and abundant metals and have shown their importance in the generation of new fuels by renewable sources. To optimize these compounds it is important to understand ...

    Miniatura

    A Dinuclear Metallobridged Super Aryl-Extended Calix[4]pyrrole Cavitand 

    Sun, Qingqing; Escobar, Luis; Ballester, Pablo (2022-03-15)

    Miniatura

    A Domino Process towards Functionally Dense Quaternary Carbons through Pd-Catalyzed Decarboxylative Csp3-Csp3 Bond Formation 

    Guo, Wusheng; Kuniyil, Rositha; Gómez, José Enrique; Maseras, Feliu; Kleij, Arjan W. (2018-01-16)

    An efficient protocol was developed to construct functionally dense quaternary carbons with concomitant formation of a new Csp3-Csp3 bond via Pd-catalyzed decarboxylative transformation of vinyl cyclic carbonates. This ...

    Miniatura

    A Fully Recyclable Heterogenized Cu Catalyst for the General Carbene Transfer Reaction in Batch and Flow 

    Maestre, Lourdes; Ozkal, Erhan; Ayats, Carles; Beltrán, Alvaro; Díaz-Requejo, M.Mar; Pérez, Pedro J.; Pericàs, Miquel A. (2015)

    <p style="text-align: justify;"> A polystyrene-linked tris(triazolyl)methanecopper(I) cationic catalyst operates under heterogeneous conditions for the reaction of ethyl diazoacetate (EDA) with an array of substrates. ...

    Miniatura

    A General Light-Driven Organocatalytic Platform for the Activation of Inert Substrates 

    Wu, Shuo; Schiel, Florian; Melchiorre, Paolo (2023-06-15)

    Due to their strong covalent bonds and low reduction potentials, activating inert substrates is challenging. Recent advances in photoredox catalysis offered a number of solutions, each of which useful for activating specific ...

    Miniatura

    A General Organocatalytic System for Electron Donor−Acceptor Complex Photoactivation and Its Use in Radical Processes 

    de Pedro Beato, Eduardo; Spinnato, Davide; Zhou, Wei; Melchiorre, Paolo (2021-07-28)

    We report herein a modular class of organic catalysts that, acting as donors, can readily form photoactive electron donor–acceptor (EDA) complexes with a variety of radical precursors. Excitation with visible light generates ...

    Miniatura

    A generalized model for estimating adsorption energies of single atoms on doped carbon materials 

    Minotaki, Maria G.; Geiger, Julian; Ruiz-Ferrando, Andrea; Sabadell-Rendón, Albert; López, Núria (2024-03-20)

    Single metal atoms on doped carbons constitute a new class of extremely appealing materials, as they present the best metal utilization for catalysis. However, their stability can be compromised by metal aggregation and ...