Institut Català d'Investigació Química (ICIQ): Recent submissions
Now showing items 181-200 of 1286
Ni-catalysed remote C(sp3)–H functionalization using chain-walking strategies
The dynamic translocation of a metal catalyst along an alkyl side chain — often coined as ‘chain-walking’ — has opened new retrosynthetic possibilities that enable functionalization at unactivated C(sp3)–H sites. The use ...
Application of EPR Spectroscopy in TiO2 and Nb2O5 Photocatalysis
The interaction of light with semiconducting materials becomes the center of a wide range of technologies, such as photocatalysis. This technology has recently attracted increasing attention due to its prospective uses in ...
Controlled Synthesis of Bioderived Poly(limonene carbonate)-Oligolysine Hybrid Macromolecules
A straightforward and stepwise functionalization of poly(limonene carbonate) (PLC) was achieved through the use of thiol–ene click chemistry introducing primary amine groups. These amines are initiating points for N-carboxy ...
Photosynthesis: Surviving on low-energy light comes at a price
Two species of photosynthetic cyanobacteria can thrive in far-red light but they either become less resilient to photodamage or less energy efficient.
Periodic Trends and Fluxionality Effects on Transition Metal Catalyzed Sulfoxidation
Despite the extended interest in d0 metal complexes as catalysts for peroxide activation and eventual oxygen transfer processes, there are still gaps in the understanding of how they proceed at the microscopic level. Herein, ...
Nanoconfinement of polyoxometalates in cyclodextrin: computational inspections of the binding affinity and experimental demonstrations of reactivity modulation
Chaotropic polyoxometalates (POMs) form robust host–guest complexes with γ-cyclodextrin (γ-CD), offering promising applications in catalysis, electrochemical energy storage, and nanotechnology. In this article, we provide ...
Computational study on the mechanism for the synthesis of active pharmaceutical ingredients nitrofurantoin and dantrolene in both solution and mechanochemical conditions
A combination of density functional theory (DFT) calculations and microkinetic simulations is applied to the study of condensation between N-acyl-hydrazides and aldehydes in acidic media to produce the active pharmaceutical ...
CO2 Electroreduction to Long-Chain Hydrocarbons on Cobalt Catalysts
Renewable-powered electrocatalytic CO2 conversion to long-chain hydrocarbons represents a sustainable path to produce chemicals and fuels. However, recently discovered systems still lack C–C coupling capabilities required ...
Transition metal-catalysed directed C–H functionalization with nucleophiles
The quest for sustainable ways to introduce diverse functional groups onto complex scaffolds has made directed transition metal-catalysed C–H functionalization reactions a main thrust within synthetic organic chemistry. ...
Convergent Active Site Evolution in Platinum Single Atom Catalysts for Acetylene Hydrochlorination and Implications for Toxicity Minimization
Platinum single atoms anchored onto activated carbon enable highly stable Hg-free synthesis of vinyl chloride (VCM) via acetylene hydrochlorination. Compared to gold-based alternatives, platinum catalysts are in initial ...
Covalent Triazine-Based Frameworks with Ru-tda Based Catalyst Anchored via Coordination Bond for Photoinduced Water Oxidation
Light-induced water splitting (hν-WS) for the production of hydrogen as a solar fuel is considered a promising sustainable strategy for the replacement of fossil fuels. An efficient system for hν-WS involves a photoactive ...
Porphyrin-silver acetylide cluster catalysts with dual active sites for the electrochemical reduction of CO2
A one-step synthesis of porphyrin-silver acetylide clusters from tetra alkyne-substituted porphyrin is described. The solid-state properties of three 2D-like compounds were fully characterised using XPS and XRD while their ...
Supramolecular interaction of molecular catalyst on a polymeric carbon nitride photoanode enhances photoelectrochemical activity and stability at neutral pH
olymeric carbon nitride (CN) emerged as an alternative, metal-free photoanode material in water-splitting photoelectrochemical cells (PEC). However, the performance of CN photoanodes is limited due to the slow charge ...
Interchangeability and Disorder in the Solid-State Structures of “Two Wall” Calix[4]pyrroles Equipped with Iodine and Ethynyl para-Substituents
Herein, the synthesis and X-ray structures of three α,β “two wall” aryl-extended calix[4]pyrroles having either identical (symmetrically substituted) or different (non-symmetrically substituted) meso-aryl substituents ...
Key intermediates and Cu active sites for CO2 electroreduction to ethylene and ethanol
Electrochemical reduction of CO2 (CO2RR) to multi-carbon products is a promising technology to store intermittent renewable electricity into high-added-value chemicals and close the carbon cycle. Its industrial scalability ...
Selectivity of a Copper Oxide CO2 Reduction Electrocatalyst Shifted by a Bioinspired pH-Sensitive Polymer
A bioinspired polymeric membrane capable of shifting the selectivity of a copper oxide electrocatalyst in the CO2 reduction reaction is described. The membrane is deposited on top of copper oxide thin films from wet ...
Enumerative Discovery of Noncanonical Polypeptide Secondary Structures
Energetically favorable local interactions can overcome the entropic cost of chain ordering and cause otherwise flexible polymers to adopt regularly repeating backbone conformations. A prominent example is the α helix ...
Pd-Catalyzed Allylic Substitution using Nucleophilic Amines: Access to Functionalized Mono- and Bis-N-Allyl Synthons
We here report a catalytic strategy to enable the decarboxylative allylic amination of vinyl cyclic carbonates using various aliphatic and nucleophilic amines. The use of a protic medium and chelating diphosphine ligands ...
Low-valent molecular cobalt complexes for CO2 reduction
This chapter explores the most representative catalytic systems for electro- and photocatalytic CO2 reduction into fuels and chemicals, as promising strategies to produce carbon-based fuels and chemicals in a sustainable ...
Challenges and Future Perspectives in Photocatalysis: Conclusions from an Interdisciplinary Workshop
Photocatalysis is a versatile and rapidly developing field with applications spanning artificial photosynthesis, photo-biocatalysis, photoredox catalysis in solution or supramolecular structures, utilization of abundant ...
