Centres de Recerca de Catalunya (CERCA)
Now showing items 1-20 of 127
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 ...
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 ...
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 ...
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 ...
This paper deals with the synthesis, characterization, and studies of biological properties of a series of 5 coordination compounds based on binuclear core [MoV2O2S2]2+ with thiosemicarbazones ligands bearing different ...
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+ ...
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 ...
Electrolytic hydrogen appears as one of the most promising options to store renewable energy. In this water splitting process, the sluggish kinetics of the 4-electron oxygen evolution reaction (OER) with its high overpotentials ...
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 ...
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 ...
Air-stable and homogeneous gold nanoparticles (AuNPs, 1a–5a) ligated by various secondary phosphine oxides (SPOs), [R1R2P(O)H] (R1 = Naph, R2 = tBu, L1; R1 = R2 = Ph, L2; R1 = Ph, R2 = Naph, L3; R1 = R2 = Et, L4; R1 = R2 ...
The synthesis of air-stable and homogeneous gold nanoparticles (AuNPs) employing tert-butyl(naphthalen-1-yl)phosphine oxide as supporting ligand is described via NaBH4 reduction of a Au(I) precursor, [(tert-butyl(naphtha ...
A major challenge for achieving energy transition and transforming the current energy model into distributed production is the development of efficient artificial leaf-type devices capable of directly converting carbon ...
Two new tetradentate N4 ligands (LN4), LN4 = Me2,Me2PyzTACN (1-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-4,7-dimethyl-1,4,7-triazacyclononane) and Me2,MeImTACN (1-((1-methyl-1H-imidazol-1-yl)methyl)-4,7-dimethyl-1,4,7-tria ...
The reactivity of a (110) rutile titanium dioxide surface functionalized with neutral, anionic and di-anionic forms of dodecyl-phosphonic acid was studied by Density Functional based Tight Binding theory to simulate different ...
Conformationally well-defined supramolecular complexes that can be studied in different solvents provide a platform for separating and quantifying free energy contributions due to functional group interactions and desolvation. ...
Proteins exhibit high-binding affinity and selectivity, as well as remarkable catalytic performance. Their binding pockets are hydrophobic but also contain polar and charged groups to contribute to the binding of polar ...
Multiscale techniques integrating detailed atomistic information on materials and reactions to predict the performance of heterogeneous catalytic full-scale reactors have been suggested but lack seamless implementation. ...
We here report the organocatalytic and temperature-controlled depolymerization of biobased poly(limonene carbonate) providing access to its trans-configured cyclic carbonate as the major product. The base TBD (1,5,7-tria ...
Post-translational modifications of lysine in histones, as methylation and acetylation, have well established functions in epigenetics and are emerging as important actors in broader biological regulation. Currently, the ...
