Institut Català d'Investigació Química (ICIQ): Recent submissions
Now showing items 121-140 of 1286
Rh-Catalyzed Enantioselective Aryl C–H Bond Cyclopropylation
Herein, we disclose the discovery and development of a site-, regio-, diastereo-, and enantioselective aryl C–H bond cyclopropylation using diazomethyl hypervalent iodine reagents, styrenes, and paddlewheel dirhodium ...
A Bimolecular Diels–Alder Reaction Mediated by Inclusion in a Polar Bis-calix[4]pyrrole Octa-Imine Cage
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 ...
Gas-Phase Photocatalytic CO2 Reduction to Ethane via EDOT-Based Trimers
The photocatalytic conversion of CO2 into fuels and high-value chemicals is a promising strategy to counteract the negative impact of greenhouse gas emissions. While most studies focus on UV-responsive semiconductors, few ...
Guest Segregation in Heteromeric Multicage Systems
Dynamically interconvertible metallo-supramolecular multicomponent assemblies, coexisting orthogonally in solution, serve as simplified mimics for complex networks found in biological systems. Building on recent advances ...
Photoinduced Hydrogen Evolution Catalyzed by Co(II) Complexes of N5-Donor Ligands
Three new cobalt complexes of the general formula [Co(II)(L)(CH3CN) ]2+, where L is one of three pentadentate nitrogen-donor ligands based on the N4Py framework, have been synthesized and characterized. The capacity of the ...
The supramolecular chemistry of monodisperse 1,3,5-triazine oligomers
Organic compounds based on 1,3,5-triazine scaffolds are utilised in practical applications in agriculture, as well as in the pharmaceutical and plastic industries. In fundamental research, 1,3,5-triazines are used as ...
Technetium and Rhenium Auto-reduction, Polymerization and Lability towards Group VII Polyoxometalate Chemistry
Group VII Tc and Re have long been studied to develop both radiopharmaceuticals and technologies for nuclear materials management. Fundamental research has targeted understanding this periodic table crossroads where ...
Imine-Based Transient Supramolecular Polymers
Systems that change properties upon exposure to chemical stimuli offer the interesting prospect of (partially) mimicking the functions of living systems. Over the past decade, numerous supramolecular systems whose chemical ...
Operando evidence on the chirality-enhanced oxygen evolution reaction in intrinsically chiral electrocatalysts
Electrolytic hydrogen is identified as a crucial component in the desired decarbonisation of the chemical industry, utilizing renewable energy to split water into hydrogen and oxygen. Water electrolysis still requires ...
Microkinetic Assessment of Ligand-Exchanging Catalytic Cycles
Computational chemistry has become a fundamental part of the understanding and optimization of catalytic processes. Among these, the characterization of homogeneous organometallic catalysts, combining an active transition ...
Late-Stage Photoredox-Catalyzed Aryl C–H Bond Diazomethylation with Atomic Carbon Reagents
Herein, we present a novel class of diazo compounds as atomic carbon reagents substituted with two orthogonal redox-active leaving groups that were exploited in the late-stage construction of chiral centers with aryl C–H ...
Insights from Impedance Spectroscopy in Perovskite Solar Cells with Self-Assembled Monolayers: Decoding SAM’s Tricks
Self-assembled monolayers (SAMs) are highly promising hole-transport layers for p-i-n perovskite solar cells, increasing photocurrent, reducing hysteresis and boosting photovoltage. However, the SAM’s exact role in maintaining ...
Water Oxidation Electrocatalysis in Acidic Media with Fe-Containing POMs/Carbon Composites
Iron-based catalysts are very appealing in terms of applications due to the low cost of Fe and to its abundance in the Earth’s crust. In the field of water oxidation, unfortunately, iron oxides cannot match the activity ...
Boron Catalysis to Expedite the Synthesis of Organic Carbonates from Carbon Dioxide
Global warming and related climate change urgently call for approaches to reduce carbon emissions and simultaneously reuse them as readily available carbon sources. Carbon dioxide (CO2) represents the most familiar one, ...
Synthesis of Daucane Natural Products Enabled by a Gold(I)-Catalyzed Tandem Cycloisomerization/(4 + 3) Cycloaddition
A divergent synthesis of three members of the daucane family of natural products is reported, enabled by a gold(I)-catalyzed cycloisomerization/formal (4 + 3) cycloaddition as the key step. The synthesis of penigrisacid A ...
Access to Highly Functional and Polymerizable Carbonate-Drug Conjugates
We here report the synthesis of two types of six-membered cyclic carbonate monomers equipped with various drug molecules through ester linkages. The target compounds can be isolated in good yields and feature diagnostic ...
Towards a universal scaling method for predicting equilibrium constants of polyoxometalates
The computational prediction of equilibrium constants is still an open problem for a wide variety of relevant chemical systems. In particular, acid dissociation constants (pKa) are an essential asset in biological, synthetic ...
Thinking about the Box: Exploring the Electronic Structure of a Cuboidal-Shaped Mo84 Anionic Nanocapsule
The cubic-shaped polyoxothiomolybdate [ M o 84 O 188 S 48 ( A c O ) 24 ] 40 − first reported by Cadot and collaborators has been characterized by DFT methods for the first time, elucidating its electronic ...
Binding Studies of a Luminescent Pt(II) Organometallic Calix[4]pyrrole with Halide Salts
We report the synthesis of a luminescent Pt(II) complex, PtL2, based on a “two-wall” aryl-extended calix[4]pyrrole (C[4]P). We characterize its binding properties as a receptor of methyl trioctyl ammonium chloride (MTOA·Cl) ...
Catalytic transformation of carbon dioxide into seven-membered heterocycles and their domino transformation into bicyclic oxazolidinones
Converting carbon dioxide (CO2) into valuable heterocycles is of great synthetic value but is usually limited to five- and six-membered ring compounds. Here, we report a catalytic approach for transforming this carbon ...
