Search Results - "Bandeira, Nuno A.G."

A Metal-Free Synthesis of N-Aryl Carbamates under Ambient Conditions by Guo, Wusheng, Gónzalez-Fabra, Joan, Bandeira, Nuno A. G., Bo, Carles, Kleij, Arjan W.

“…The first chemo‐ and site‐selective process for the formation of N‐aryl‐carbamates from cyclic organic carbonates and aromatic amines is reported. The…”
Get full text

Polynuclear Gold [AuI]4, [AuI]8, and Bimetallic [AuI4AgI] Complexes: C−H Functionalization of Carbonyl Compounds and Homogeneous Carbonylation of Amines by Smirnova, Ekaterina S., Muñoz Molina, José M., Johnson, Alice, Bandeira, Nuno A. G., Bo, Carles, Echavarren, Antonio M.

“…The synthesis of tetranuclear gold complexes, a structurally unprecedented octanuclear complex with a planar [AuI8] core, and pentanuclear [AuI4MI] (M=Cu, Ag)…”
Get full text

Electronic Structure Studies on the Whole Keplerate Family: Predicting New Members by Melgar, Dolores, Bandeira, Nuno A. G., Bo, Carles

“…A comprehensive study of the electronic structure of nanoscale molecular oxide capsules of the type [{MVI(MVI)5O21}12{M′V2O2(μ‐X)(μ‐Y)(Ln−)}30](12+n)− is…”
Get full text

Thermodynamic Stability of Heterodimetallic [LnLn′] Complexes: Synthesis and DFT Studies by Gónzalez‐Fabra, Joan, Bandeira, Nuno A. G., Velasco, Verónica, Barrios, Leoní A., Aguilà, David, Teat, Simon J., Roubeau, Olivier, Bo, Carles, Aromí, Guillem

“…The solid‐state and solution configurations of the heterodimetallic complexes (Hpy)[LaEr(HL)3(NO3)(py)(H2O)] (1), (Hpy)[CeEr(HL)3(NO3)(py)(H2O)] (2),…”
Get full text

Metal‐Free Synthesis of N‐Aryl Amides using Organocatalytic Ring‐Opening Aminolysis of Lactones by Guo, Wusheng, Gómez, José Enrique, Martínez‐Rodríguez, Luis, Bandeira, Nuno A. G., Bo, Carles, Kleij, Arjan W.

“…Catalytic ring‐opening of bio‐sourced non‐strained lactones with aromatic amines can offer a straightforward, 100 % atom‐economical, and sustainable pathway…”
Get full text

Phosphinothiolates as Ligands for Polyhydrido Copper Nanoclusters by Huertos, Miguel A., Cano, Israel, Bandeira, Nuno A. G., Benet-Buchholz, Jordi, Bo, Carles, van Leeuwen, Piet W. N. M.

“…The reaction of [CuI(HSC6H4PPh2)]2 with NaBH4 in CH2Cl2/EtOH led to air‐ and moisture‐stable copper hydride nanoparticles (CuNPs) containing phosphinothiolates…”
Get full text

Highly Efficient Chirality Transfer from Diamines Encapsulated within a Self-Assembled Calixarene-Salen Host by Martínez-Rodríguez, Luis, Bandeira, Nuno A. G., Bo, Carles, Kleij, Arjan W.

“…A calix[4]arene host equipped with two bis‐[Zn(salphen)] complexes self‐assembles into a capsular complex in the presence of a chiral diamine guest with an…”
Get full text

Tuning and mechanistic insights of metal chalcogenide molecular catalysts for the hydrogen-evolution reaction by McAllister, James, Bandeira, Nuno A. G., McGlynn, Jessica C., Ganin, Alexey Y., Song, Yu-Fei, Bo, Carles, Miras, Haralampos N.

“…The production of hydrogen through water splitting using earth-abundant metal catalysts is a promising pathway for converting solar energy into chemical fuels…”
Get full text

The rapid electrochemical activation of MoTe2 for the hydrogen evolution reaction by McGlynn, Jessica C., Dankwort, Torben, Kienle, Lorenz, Bandeira, Nuno A. G., Fraser, James P., Gibson, Emma K., Cascallana-Matías, Irene, Kamarás, Katalin, Symes, Mark D., Miras, Haralampos N., Ganin, Alexey Y.

“…The electrochemical generation of hydrogen is a key enabling technology for the production of sustainable fuels. Transition metal chalcogenides show…”
Get full text

Design and Modulation of Selectivity toward Vanadium(V) and Uranium(VI) Ions: Coordination Properties and Affinity of Hydroxylamino-Triazine Siderophores by Amoiridis, Angelos, Papanikolaou, Michael, Vlasiou, Manolis, Bandeira, Nuno A. G., Miras, Haralampos N., Kabanos, Themistoklis, Keramidas, Anastasios

“…Based on the strong binding and high selectivity properties of 2,6-bis­[hydroxy­(methyl)­amino]-4-morpholino-1,3,5-triazine (H2bihyat) for [UVIO2]2+, novel…”
Get full text

Sulfur Dioxide Oxidation by Zinc and Zinc Oxide Nitrate/Nitrite Complexes in the Gas Phase: An Interplay between Redox‐Active Ligands and Metal by Salvitti, Chiara, Bandeira, Nuno A. G., Pepi, Federico, Petris, Giulia, Troiani, Anna

“…Different oxidative pathways of sulfur dioxide promoted by ZnO(NO3)2−, Zn(NO3)2− and Zn(NO2)(NO3)− are revealed by a joint investigation by mass spectrometry…”
Get full text

Unveiling a Photoinduced Hydrogen Evolution Reaction Mechanism via the Concerted Formation of Uranyl Peroxide by Petrus, Enric, Segado, Mireia, Bandeira, Nuno A. G., Bo, Carles

Get full text

TeTe interactions in inorganic rings with sulfur donors by Bandeira, Nuno A.G, Veiros, Luı́s F, Calhorda, Maria J, Novosad, Josef

“…Te(II) forms binuclear complexes with bridging [{SP(Ph) 2} 2N] − ligands and axial aryl groups with very long Te⋯Te distances, while Te(I) analogues with [S…”
Get full text

Mechanistic Insights into Promoted Hydrolysis of Phosphoester Bonds by MoO2Cl2(DMF)2 by Lanuza, Jose, Sánchez−González, Ángel, Bandeira, Nuno A. G, Lopez, Xabier, Gil, Adrià

“…A phosphoester bond is a crucial structural block in biological systems, whose occurrence is regulated by phosphatases. Molybdenum compounds have been reported…”
Get full text

Squeezing release mechanism of encapsulated compounds from photo-sensitive microcapsules by Trojanowska, Anna, Bandeira, Nuno A.G., Nogalska, Adrianna, Marturano, Valentina, Giamberini, Marta, Cerruti, Pierfrancesco, Ambrogi, Veronica, Tylkowski, Bartosz

“…[Display omitted] •Atomistic scale modelling of the polymeric building blocks of photo-active microcapsules with the azobenzene moieties.•Squeezing release…”
Get full text

New Insights on the Interaction of Phenanthroline Based Ligands and Metal Complexes and Polyoxometalates with Duplex DNA and G-Quadruplexes by Sánchez-González, Ángel, Bandeira, Nuno A G, Ortiz de Luzuriaga, Iker, Martins, Frederico F, Elleuchi, Sawssen, Jarraya, Khaled, Lanuza, Jose, Lopez, Xabier, Calhorda, Maria José, Gil, Adrià

“…This work provides new insights from our team regarding advances in targeting canonical and non-canonical nucleic acid structures. This modality of medical…”
Get full text

Hafnium(IV) Chemistry with Imide–Dioxime and Catecholate–Oxime Ligands: Unique {Hf5} and Metalloaromatic {Hf6}–Oxo Clusters Exhibiting Fluorescence by Passadis, Stamatis S., Hadjithoma, Sofia, Fairbairn, Nicola J., Hedley, Gordon J., Bandeira, Nuno A. G., Tsipis, Athanassios C., Miras, Haralampos N., Keramidas, Anastasios D., Kabanos, Themistoklis A.

“…Hafnium­(IV) molecular species have gained increasing attention due to their numerous applications ranging from high-resolution nanolithography, heterogeneous…”
Get full text

Regioselective Catalysis by the {Mo132} Nanocapsule: A Computational Inspection by Bandeira, Nuno A. G., Bo, Carles

“…By means of density functional calculations, we perform a mechanistic analysis of the Huisgen cycloaddition reaction taking place with the chemical involvement…”
Get full text

CoII Cryptates Convert CO2 into CO and CH4 under Visible Light by Realista, Sara, Almeida, Janaína C., Milheiro, Sofia A., Bandeira, Nuno A. G., Alves, Luis G., Madeira, Filipe, Calhorda, Maria José, Martinho, Paulo N.

“…Three CoII octaazacryptates, with different substituents on the aromatic rings (Br, NO2, CCH), were synthesised and characterised. These and the already…”
Get full text

Are homoleptic complexes of ethylene with group 12 metals isolable in solution? A DFT study by Fianchini, Mauro, Bandeira, Nuno A. G.

“…Ethylene efficiently binds late transition metals of groups 10 and 11. In spite of their reactivity, homoleptic compounds of formula [M-(η 2 -C 2 H 4 ) 3 ] n+…”
Get full text