Institut Català d'Investigació Química (ICIQ): Enviaments recents
Ara mostrant els elements 301-320 de 1286
Decoding the CO2 Reduction Mechanism of a Highly Active Organometallic Manganese Electrocatalyst: Direct Observation of a Hydride Intermediate and Its Implications
A detailed mechanistic study of the electrochemical CO2 reduction catalyzed by the fac-[MnI(CO)3(bis-MeNHC)MeCN]+ complex (1-MeCN+) is reported herein by combining in situ FTIR spectroelectrochemistry (SEC), synthesis and ...
Stereoselective Three-Component Allylic Alkylation Enabled by Dual Photoredox/Ni Catalysis
A modular and practical approach has been developed for the stereoselective formation of elaborate allylic alcohols through a three-component reaction (3CR) between vinyl cyclic carbonates, olefins, and various radical ...
Bicyclic Guanidine Promoted Mechanistically Divergent Depolymerization and Recycling of a Biobased Polycarbonate
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 ...
Recent advances in the synthesis and polymerization of new CO2-based cyclic carbonates
Carbon dioxide can be converted into functional heterocycles known as cyclic carbonates, whose recent reactivity has been expanded towards the formation of tailor-made engineering polymers. This minireview gives an overview ...
The Puzzling Structure of the Key Intermediates in Gold(I) Catalyzed Cyclizations of Enynes and Allenenes
We identify the dominant structures of the intermediates of gold(I)-catalyzed cyclizations of 1,5-enynes and 1,5-allenenes through computational analysis as gold(I) cyclopropylcarbenes, endocyclic vinylgold complexes and ...
Reductive Cross-Coupling of Olefins via a Radical Pathway
Olefins are widely available at low costs, which explains the usefulness of developing new methods for their functionalization. Here we report a simple protocol that uses a photoredox catalyst and an inexpensive thiol ...
Robust Molecular Anodes for Electrocatalytic Water Oxidation Based on Electropolymerized Molecular Cu Complexes
A multistep synthesis of a new tetra-amidate macrocyclic ligand functionalized with alkyl-thiophene moieties, 15,15-bis(6-(thiophen-3-yl)hexyl)-8,13-dihydro-5H-dibenzo[b,h][1,4,7,10]tetraazacyclotridecine-6,7,14,16(15H,1 ...
Ni-Catalyzed Regio- and Enantioselective Homoallylic Coupling: Synthesis of Chiral Branched 1,5-Dienes Featuring a Quaternary Stereogenic Center and Mechanistic Analysis
Asymmetric synthesis of small molecules comprising quaternary stereogenic carbon centers represents a challenging objective. Here regio- and enantioselective synthesis of chiral 1,5-dienes featuring quaternary stereocenters ...
Automated MUltiscale simulation environment
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. ...
Triarylmethane Mechanophores Enable Full-Visible Spectrum Mechanochromism
Covalent mechanophores are molecular motifs that contain weak bonds, which are preferentially cleaved in response to the application of a mechanical force. Specially designed motifs can signal such bond scission events by ...
Direct Electroreduction of Carbonate to Formate
A cause of losses in energy and carbon conversion efficiencies during the electrochemical CO2 reduction reaction (eCO2RR) can be attributed to the formation of carbonates (CO32–), which is generally considered to be an ...
Merging homogeneous transition metal catalysis and hydrogen isotope exchange
Hydrogen isotope labeling has become an area of special synthetic interest due to the widespread application of isotopic-enriched molecules in different key research disciplines, especially related to life sciences. However, ...
Hydration of Propargyl Esters Catalyzed by Gold(I) Complexes with Phosphoramidite Calix[4]pyrrole Cavitands as Ligands
We report the synthesis and characterization of two diastereomeric phosphoramidite calix[4]pyrrole cavitands and their corresponding gold(I) complexes, 2in•Au(I)•Cl and 2out•Au(I)•Cl, featuring the metal center directed ...
Ring-opening polymerization of functionalized aliphatic bicyclic carbonates
A series of six-membered bicyclic carbonates has been prepared from an alcohol precursor through esterification, etherification and silyl-etherification methods to afford functional monomers with synthetically useful vinyl, ...
Aromatic interactions with heterocycles in water
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. ...
Terbium and Europium Chlorocyananilate-Based 2D Coordination Polymers
Two-dimensional layered coordination polymers based on the hetero-substituted 3-chloro-6-cyano-2,5-dihydroxybenzoquinone ligands, hereafter ClCNAn2− anilate, and LnIII ions (Tb and Eu) are reported. Compounds 1 and 2, ...
Evidence of bifunctionality of carbons and metal atoms in catalyzed acetylene hydrochlorination
Carbon supports are ubiquitous components of heterogeneous catalysts for acetylene hydrochlorination to vinyl chloride, from commercial mercury-based systems to more sustainable metal single-atom alternatives. Their potential ...
Mapping the Ultrafast Mechanistic Pathways of Co Photocatalysts in Pure Water through Time-Resolved X-ray Spectroscopy
Nanosecond time-resolved X-ray (tr-XAS) and optical transient absorption spectroscopy (OTA) are applied to study 3 multimolecular photocatalytic systems with [Ru(bpy)3]2+photoabsorber, ascorbic acid electron donor and Co ...
C(sp2)–H Hydroxylation via Catalytic 1,4-Ni Migration with N2O
Herein, we report a Ni-catalyzed C(sp2)–H hydroxylation of aryl bromides with N2O as an oxygen-atom donor. The reaction is enabled by a 1,4-Ni translocation that results in ipso/ortho difunctionalized products. Regioselectivity ...
Chiral Auxiliary Approach for Gold(I)-Catalyzed Cyclizations
Two different classes of stereoselective cyclizations have been developed using a chiral auxiliary approach with commercially available [JohnPhosAu(MeCN)SbF6] as catalyst. First, a stereoselective cascade cyclization of ...
