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    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 ...

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    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 ...

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    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 ...

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    A Biosourced Epoxy Resin for Adhesive Thermoset Applications 

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

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    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, ...

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    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 ...

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    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- ...

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    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 ...

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    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 ...

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    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 ...

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    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 ...

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    A Guide to Recognizing Your Electrochemical Impedance Spectra: Revisions of the Randles Circuit in (Bio)sensing 

    Lazanas, Alexandros; Prieto Simón, Beatriz (2025-10-09)

    Electrochemical impedance spectroscopy (EIS) is a highly versatile electrochemical technique capable of discretizing each electrochemical parameter in complex systems by employing a broad frequency spectrum. When EIS is ...

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    A heterogeneous single-atom palladium catalyst surpassing homogeneous systems for Suzuki coupling 

    Chen, Zupeng; Vorobyeva, Evgeniya; Mitchell, Sharon; Fako, Edvin; Ortuño, Manuel A.; López, Núria; Collins, Sean M.; Midgley, Paul A.; Richard, Sylvia; Vilé, Gianvito; Pérez-Ramírez, Javier (2018-06-25)

    Palladium-catalysed cross-coupling reactions, central tools in fine-chemical synthesis, predominantly employ soluble metal complexes despite recognized challenges with product purification and catalyst reusability1– 3. ...

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    A high-throughput study of cyclic and polymeric carbonates synthesized from CO2 and epoxides with iron(III) pyridylamino-bis(phenolate) catalysts 

    Taherimehr, Masoumeh; Cardoso Costa Sertã, João Paulo; Kleij, Arjan W.; Whiteoak, Christopher J.; Pescarmona, Paolo P. (2015-02-17)

    The atom-efficient reaction of a nontoxic, inexpensive and renewable C1-feedstock as CO2 with a variety of epoxide substrates and oxetane was studied employing iron(III) pyridylamino- bis(phenolate) complexes as homogeneous ...

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    A Highly Active N‐Heterocyclic Carbene Manganese(I) Complex for Selective Electrocatalytic CO2 Reduction to CO 

    Franco, Federico; Pinto, Mara F.; Royo, Beatriz; Lloret‐Fillol, Julio (2018-02-26)

    We report here the first purely organometallic fac‐[MnI(CO)3(bis‐MeNHC)Br] complex with unprecedented activity for the selective electrocatalytic reduction of CO2 to CO, exceeding 100 turnovers with excellent faradaic ...

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    A Hybrid Molecular Photoanode for Efficient Light Induced Water Oxidation 

    Grau, Sergi; Berardi, Serena; Moya, Alicia; Matheu, Roc; Cristino, Vito; Vilatela, Juan José; Bignozzi, Carlo A.; Caramori, Stefano; Gimbert-Suriñach, Carolina; LLobet, Antoni (2018-05-18)

    A hybrid photoanode comprising a multilayered heterostructured WO3/BiVO4 semiconductor and a molecular water oxidation catalyst Ru(tda)(py-pyr)2 (Ru-WOC, where tda is [2,2′:6′,2′′-terpyridine]-6,6′′-dicarboxylato and py-pyr ...

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    A low temperature aqueous formate fuel cell using cobalt hexacyanoferrate as a non-noble metal oxidation catalyst 

    Han, Lijuan; González-Cobos, Jesús; Sánchez-Molina, Irene; Giancola, Stefano; Folkman, Scott J.; Giménez, S.; Vidal-Ferran, A.; Galán-Mascarós, José Ramón (2020-11-05)

    Cobalt hexacyanoferrate, the Co–Fe Prussian blue derivative (CoFePB), is an effective, selective and stable electrocatalyst for formate oxidation, exhibiting robust performance under a variety of electrolyte conditions. ...

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    A mechanism for the selective epimerization of the glucose mannose pair by Mo-based compounds: towards catalyst optimization† 

    Rellán-Piñeiro, M.; Garcia-Ratés, M; López, Núria (2017-11-16)

    The selective C2 epimerization of the glucose/mannose pair on a set of Mo-based catalysts was studied by means of density functional theory. The process, known as the Bilik reaction, encompasses a 1,2 C-shift of the C3 ...