Institut Català d'Investigació Química (ICIQ): Envíos recientes
Mostrando ítems 341-360 de 1286
Oxidovanadium(IV) sulfate catalyses light-driven C–N bond formation
Oxidovanadium(IV) sulfate, VIVOSO4, is shown to catalyze efficiently the amidation of the C–H bond of aldehydes by N-chloramine derivatives for the selective synthesis of amides. The catalytic process is driven by visible ...
Hydrogen-Bonded Matched Ion Pair Gold(I) Catalysis
The enantioselective reaction of 1,6-enynes with O-, N-, and C-nucleophiles has been developed by matched ion pair gold(I) catalysis in which the chiral gold(I) cation and anion are H-bonded through a urea group. Very high ...
A Robust Heterodimeric Bis-Rh(III)-Porphyrin Macrocycle for the Self-Assembly of a Kinetically Stable [2]-Rotaxane
We report the self-assembly of a robust di-nuclear tetralactam macrocyle based on two symmetric components: a Rh(III) bis-porphyrin and a bis-pyridyl ligand. We probe the binding properties of the tetralactam macrocycle ...
The role of polaronic states in the enhancement of CO oxidation by single-atom Pt/CeO2
Single Atom Catalysts (SACs) have shown that the miniaturization of the active site implies new phenomena like dynamic charge transfer between isolated metal atoms and the oxide. To obtain direct proof of this character ...
Micromolar Affinity and Higher: Synthetic Host–Guest Complexes with High Stabilities
The design of high-affinity synthetic host–guest complexes is of paramount importance because they are key elements in constructing unprecedented supramolecular assemblies, functional materials, molecular probes, artificial ...
A General Light-Driven Organocatalytic Platform for the Activation of Inert Substrates
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 ...
Charge-controlled Pd catalysis enables the meta-C–H activation and olefination of arenes
The regioselective C–H activation of arenes remains one of the most promising techniques for accessing highly important functionalized motifs. Such functionalizations can generally be achieved through directed and non-directed ...
1,2-Arylsulfonylation of Vinyl Ethers and Esters Enabled by Dual Ni Catalysis
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 ...
Copper-Catalyzed C(sp3)-Amination of Ketone-Derived Dihydroquinazolinones by Aromatization-Driven C−C Bond Scission
Herein, we describe the development of a copper-catalyzed C(sp3)-amination of proaromatic dihydroquinazolinones derived from ketones. The reaction is enabled by the intermediacy of open-shell species arising from homolytic ...
Exploring innovative designs and heterojunctions in photocatalytic micromotors
Photocatalytic micromotors that convert light energy into mechanical energy have garnered increased interest due to their fast photoactivation, and potential for precise control and manipulation. This feature article ...
Substituent effects on aromatic interactions in water
Molecular recognition in water involves contributions due to polar functional group interactions, partial desolvation of polar and non-polar surfaces and changes in conformational flexibility, presenting a challenge for ...
Enantioselective Catalysis with Pyrrolidinyl Gold(I) Complexes: DFT and NEST Analysis of the Chiral Binding Pocket
A new generation of chiral gold(I) catalysts based on variations of complexes with JohnPhos-type ligands with a remote C2-symmetric 2,5-diarylpyrrolidine have been synthesized with different substitutions at the top and ...
Factors driving the Ni/Cu cooperative asymmetric propargylation of aldimine esters
The factors driving the Ni0(binap)/CuI(phospherrox) cooperative asymmetric propargylation of aldimine esters are unveiled through DFT calculations. The system is fully explored accounting for conformational complexity and ...
Catalytic Photoinduced Intramolecular Decarboxylative and Desulfonylative sp3Allylation Enabled by Sulfinate Salts
Herein, we describe a catalytic intramolecular decarboxylative/desulfonylative sp3 allylation triggered by sulfinate salts under light irradiation. The reaction is likely enabled by a non-classical, radical-polar crossover ...
Cu-Catalyzed C(sp3) Amination of Unactivated Secondary Alkyl Iodides Promoted by Diaryliodonium Salts
Herein, we describe the development of a copper-catalyzed C(sp3) amination of unactivated secondary alkyl iodides mediated by diaryliodonium salts. Our protocol is enabled by the intermediacy of aryl radical species that ...
Light-Driven MXene-Based Microrobots: Mineralization of Bisphenol A to CO2 and H2O
Light-driven magnetic MXene-based microrobots (MXeBOTs) have been developed as an active motile platform for efficiently removing and degrading bisphenol A (BPA). Light-driven MXeBOTs are facilitated with the second control ...
Achieving 17.7% Efficiency of Ternary Organic Solar Cells by Incorporating a High Lowest Unoccupied Molecular Orbital Level and Miscible Third Component
A ternary strategy has been demonstrated as being an effective method to improve the power conversion efficiency (PCE); however, general rules for materials selection are not fully comprehended. Herein, nonfullerene acceptor ...
A redox-active inorganic crown ether based on a polyoxometalate capsule
Cation-uptake has been long researched as an important topic in materials science. Herein we focus on a molecular crystal composed of a charge-neutral polyoxometalate (POM) capsule [MoVI72FeIII30O252(H2O)102(CH3CO2)15]3+ ...
A tetrahedron from homooxacalix[3]arene, the fifth Platonic polyhedron from calixarenes and uranyl
A self-assembled tetrahedral cage results from two C3-symmetry building blocks, namely, homooxacalix[3]arene tricarboxylate and uranyl cation, as demonstrated by X-ray crystallography. In the cage, four metals coordinate ...
Fast evaluation of the adsorption energy of organic molecules on metals via graph neural networks
Modeling in heterogeneous catalysis requires the extensive evaluation of the energy of molecules adsorbed on surfaces. This is done via density functional theory but for large organic molecules it requires enormous ...
