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DFT Studies on the Silver-Catalyzed Carboxylation of Terminal Alkynes with CO2: An Insight into the Catalytically Active Species

https://doi.org/10.1021/om500086u
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/adsc.201000564openalex-snapshot
Synthesis of Propiolic Acids via Copper‐Catalyzed Insertion of Carbon Dioxide into the CH Bond of Terminal Alkynes
inferredcites →https://doi.org/10.1002/adsc.201100934openalex-snapshot
Carboxylation of Terminal Alkynes with Carbon Dioxide Catalyzed by Poly(N‐Heterocyclic Carbene)‐Supported Silver Nanoparticles
inferredcites →https://doi.org/10.1002/ange.201101769openalex-snapshot
Carboxylation of Alkylboranes by N‐Heterocyclic Carbene Copper Catalysts: Synthesis of Carboxylic Acids from Terminal Alkenes and Carbon Dioxide
inferredcites →https://doi.org/10.1002/anie.200702439openalex-snapshot
Dual Catalysis: A Combined Enantioselective Brønsted Acid and Metal‐Catalyzed Reaction—Metal Catalysis with Chiral Counterions
inferredcites →https://doi.org/10.1002/anie.200801857openalex-snapshot
Carboxylation of Organoboronic Esters Catalyzed by N‐Heterocyclic Carbene Copper(I) Complexes
inferredcites →https://doi.org/10.1002/anie.200900667openalex-snapshot
Metal‐Catalyzed Carboxylation of Organometallic Reagents with Carbon Dioxide
inferredcites →https://doi.org/10.1002/anie.201003995openalex-snapshot
Copper‐Catalyzed Direct Carboxylation of CH Bonds with Carbon Dioxide
inferredcites →https://doi.org/10.1002/anie.201004153openalex-snapshot
Carboxylation of NH/CH Bonds Using N‐Heterocyclic Carbene Copper(I) Complexes
inferredcites →https://doi.org/10.1002/anie.201101769openalex-snapshot
Carboxylation of Alkylboranes by N‐Heterocyclic Carbene Copper Catalysts: Synthesis of Carboxylic Acids from Terminal Alkenes and Carbon Dioxide
inferredcites →https://doi.org/10.1002/cctc.201200047openalex-snapshot
CH Carboxylation of Terminal Alkynes Catalyzed by Low Loadings of Silver(I)/DMSO at Ambient CO2 Pressure
inferredcites →https://doi.org/10.1002/chem.201101463openalex-snapshot
CO2 Insertion into Metal–Carbon Bonds: A Computational Study of RhI Pincer Complexes
inferredcites →https://doi.org/10.1007/bf00528565openalex-snapshot
Energy-adjusted pseudopotentials for the rare earth elements
inferredcites →https://doi.org/10.1007/bf01112983openalex-snapshot
A combination of quasirelativistic pseudopotential and ligand field calculations for lanthanoid compounds
inferredcites →https://doi.org/10.1007/bf01114537openalex-snapshot
Energy-adjustedab initio pseudopotentials for the second and third row transition elements
inferredcites →https://doi.org/10.1016/j.tet.2012.08.053openalex-snapshot
Ligand-free Ag(I)-catalyzed carboxylative coupling of terminal alkynes, chloride compounds, and CO2
inferredcites →https://doi.org/10.1021/ar1000956openalex-snapshot
How to Conceptualize Catalytic Cycles? The Energetic Span Model
inferredcites →https://doi.org/10.1021/ar9002587openalex-snapshot
The Development of Catalytic Nucleophilic Additions of Terminal Alkynes in Water
inferredcites →https://doi.org/10.1021/cr050992xopenalex-snapshot
The Sonogashira Reaction: A Booming Methodology in Synthetic Organic Chemistry
inferredcites →https://doi.org/10.1021/cr068357uopenalex-snapshot
Transformation of Carbon Dioxide
inferredcites →https://doi.org/10.1021/cs300448vopenalex-snapshot
Catalytic C–H Carboxylation of Terminal Alkynes with Carbon Dioxide
inferredcites →https://doi.org/10.1021/ic00111a044openalex-snapshot
Ab Initio MO Study of the CO2 Insertion into the Cu(I)-R Bond (R = H, CH3, or OH). Comparison between the CO2 Insertion and the C2H4 Insertion
inferredcites →https://doi.org/10.1021/j100854a049openalex-snapshot
Thermodynamic properties of nonaqueous solutions. IV. Free energies and entropies of solvation of some alkali metal halides in N,N-dimethylformamide
inferredcites →https://doi.org/10.1021/ja103429qopenalex-snapshot
Carboxylation of C−H Bonds Using N -Heterocyclic Carbene Gold(I) Complexes
inferredcites →https://doi.org/10.1021/ja300667yopenalex-snapshot
Enhanced Asymmetric Induction for the Copolymerization of CO2 and Cyclohexene Oxide with Unsymmetric Enantiopure SalenCo(III) Complexes: Synthesis of Crystalline CO2-Based Polycarbonate
inferredcites →https://doi.org/10.1021/jo00180a033openalex-snapshot
Preparation of dialkyl carbonates via the phase-transfer-catalyzed alkylation of alkali metal carbonate and bicarbonate salts
inferredcites →https://doi.org/10.1021/jo801213mopenalex-snapshot
Silver-Catalyzed One-Pot Synthesis of Arylnaphthalene Lactones
inferredcites →https://doi.org/10.1021/jp011945lopenalex-snapshot
Addition of Polarization and Diffuse Functions to the LANL2DZ Basis Set for P-Block Elements
inferredcites →https://doi.org/10.1021/jp0221993openalex-snapshot
Robust and Affordable Multicoefficient Methods for Thermochemistry and Thermochemical Kinetics: The MCCM/3 Suite and SAC/3
inferredcites →https://doi.org/10.1021/ma202414kopenalex-snapshot
Computational Studies on Isospecific Polymerization of 1-Hexene Catalyzed by Cationic Rare Earth Metal Alkyl Complex Bearing aC3iPr-trisox Ligand
inferredcites →https://doi.org/10.1021/ol102172vopenalex-snapshot
Cu(I)-Catalyzed Carboxylative Coupling of Terminal Alkynes, Allylic Chlorides, and CO 2
inferredcites →https://doi.org/10.1021/ol200638zopenalex-snapshot
Ligand-Free Ag(I)-Catalyzed Carboxylation of Terminal Alkynes with CO2
inferredcites →https://doi.org/10.1021/om100730hopenalex-snapshot
DFT Study on the Mechanism of the Activation and Cleavage of CO2 by (NHC)CuEPh3 (E = Si, Ge, Sn)
inferredcites →https://doi.org/10.1021/om100998copenalex-snapshot
QM/MM Studies on Scandium-Catalyzed Syndiospecific Copolymerization of Styrene and Ethylene
inferredcites →https://doi.org/10.1021/om200950qopenalex-snapshot
DFT Studies on the Reduction of Dinitrogen to Ammonia by a Thiolate-Bridged Diiron Complex as a Nitrogenase Mimic
inferredcites →https://doi.org/10.1021/om300147yopenalex-snapshot
Mechanistic Investigation on Scandium-Catalyzed C–H Addition of Pyridines to Olefins
inferredcites →https://doi.org/10.1021/om400012aopenalex-snapshot
Tetranuclear Zirconium and Hafnium Polyhydride Complexes Composed of the “CpMH2” Units
inferredcites →https://doi.org/10.1021/om8002224openalex-snapshot
Theoretical Studies on Coupling Reactions of Carbon Dioxide with Alkynes Mediated by Nickel(0) Complexes
inferredcites →https://doi.org/10.1021/om901047eopenalex-snapshot
DFT Studies on the Carboxylation of Arylboronate Esters with CO2 Catalyzed by Copper(I) Complexes
inferredcites →https://doi.org/10.1038/nchem.1147openalex-snapshot
Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals
inferredcites →https://doi.org/10.1038/nchem.1594openalex-snapshot
Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic
inferredcites →https://doi.org/10.1039/c0cc03890copenalex-snapshot
Direct C–H carboxylation with complexes of the coinage metals
inferredcites →https://doi.org/10.1039/c0cs00129eopenalex-snapshot
Transition-metal-catalyzed C–C bond formation through the fixation of carbon dioxide
inferredcites →https://doi.org/10.1039/c0gc00819bopenalex-snapshot
The direct carboxylation of terminal alkynes with carbon dioxide
inferredcites →https://doi.org/10.1039/c2cc34542kopenalex-snapshot
Theoretical studies of reactions of carbon dioxide mediated and catalysed by transition metal complexes
inferredcites →https://doi.org/10.1039/c2ob06884bopenalex-snapshot
A copper-based catalytic system for carboxylation of terminal alkynes: synthesis of alkyl 2-alkynoates
inferredcites →https://doi.org/10.1039/c39940002091openalex-snapshot
Direct synthesis of alkyl 2-alkynoates from alk-1-ynes, CO2, and bromoalkanes catalysed by copper(I) or silver(I) salt
inferredcites →https://doi.org/10.1063/1.448975openalex-snapshot
Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals
inferredcites →https://doi.org/10.1063/1.452288openalex-snapshot
Energy-adjusted a b i n i t i o pseudopotentials for the first row transition elements
inferredcites →https://doi.org/10.1063/1.457082openalex-snapshot
Relativistic effects in gold chemistry. I. Diatomic gold compounds
inferredcites →https://doi.org/10.1063/1.464913openalex-snapshot
Density-functional thermochemistry. III. The role of exact exchange
inferredcites →https://doi.org/10.1073/pnas.1010962107openalex-snapshot
Copper- and copper– N -heterocyclic carbene-catalyzed C─H activating carboxylation of terminal alkynes with CO 2 at ambient conditions
inferredcites →https://doi.org/10.1080/00268979300103121openalex-snapshot
Ab initio energy-adjusted pseudopotentials for elements of groups 13–17
inferredcites →https://doi.org/10.1103/physrevb.37.785openalex-snapshot
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
inferredcites →https://doi.org/10.1103/physrevb.54.16533openalex-snapshot
Generalized gradient approximation for the exchange-correlation hole of a many-electron system
inferredcites →https://doi.org/10.1126/science.1238663openalex-snapshot
Dinitrogen Cleavage and Hydrogenation by a Trinuclear Titanium Polyhydride Complex

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.2139/ssrn.4887161openalex-extracted
Nhc-Silver Complexes as Effective Catalysts for the Synthesis of Propiolic Acids by Reaction of Alkynes with Co2
inferred← citeshttps://doi.org/10.1002/9783527342822.ch6openalex-snapshot
Coupling Reactions and CH Functionalization
inferred← citeshttps://doi.org/10.1002/9783527342822.ch7openalex-snapshot
Silver‐Catalyzed CO 2 Incorporation
inferred← citeshttps://doi.org/10.1002/9783527821952.ch12openalex-snapshot
Silver‐Catalyzed CO2 Fixation
inferred← citeshttps://doi.org/10.1002/cctc.201601379openalex-snapshot
Carboxylation of Terminal Alkynes with Carbon Dioxide Catalyzed by an In Situ Ag2O/N‐Heterocyclic Carbene Precursor System
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Silver Nanoparticles Architectured HMP as a Recyclable Catalyst for Tetramic Acid and Propiolic Acid Synthesis through CO2 Capture at Atmospheric Pressure
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NHC‐Ag/Pd‐Catalyzed Reductive Carboxylation of Terminal Alkynes with CO2 and H2: A Combined Experimental and Computational Study for Fine‐Tuned Selectivity
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C−H Bond Carboxylation with Carbon Dioxide
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Anhydrous Conditions Enable the Catalyst‐Free Carboxylation of Aromatic Alkynes with CO2 under Mild Conditions
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Silver-Catalyzed Carboxylation Reaction Using Carbon Dioxide as Carboxylative Reagent
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Inserting CO2 into Terminal Alkynes via Bis-(NHC)-Metal Complexes
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Silver catalysis in organic synthesis: A computational view
inferred← citeshttps://doi.org/10.1016/j.ccr.2021.214255openalex-snapshot
Recent advances in γ-C(sp3)–H bond activation of amides, aliphatic amines, sulfanilamides and amino acids
inferred← citeshttps://doi.org/10.1016/j.ccr.2023.215138openalex-snapshot
Catalytic C(sp)-H carboxylation with CO2
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Silver nanoparticles embedded over porous metal organic frameworks for carbon dioxide fixation via carboxylation of terminal alkynes at ambient pressure
inferred← citeshttps://doi.org/10.1016/j.jechem.2020.12.006openalex-snapshot
Recent advances in catalytic conversion of carbon dioxide to propiolic acids over coinage-metal-based catalysts
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Ferralactone formation from iron acetylides and carbon dioxide
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1,3-Bis(4-methylbenzyl)imidazol-2-ylidene silver(I) chloride catalyzed carboxylative coupling of terminal alkynes, butyl iodide and carbon dioxide
inferred← citeshttps://doi.org/10.1016/j.matchemphys.2023.128852openalex-snapshot
Nanosilver-decorated reduced graphene oxide for catalytic carboxylation of phenylacetylene with CO2
inferred← citeshttps://doi.org/10.1016/j.mcat.2017.02.015openalex-snapshot
Mechanism of the chemical fixation of carbon dioxide with 2-aminobenzonitrile catalyzed by cesium carbonate: A computational study
inferred← citeshttps://doi.org/10.1016/j.tet.2016.12.075openalex-snapshot
Silver-catalyzed one-pot synthesis of benzyl 2-alkynoates under ambient pressure of CO2 and ligand-free conditions
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.9b03733openalex-snapshot
Theoretical Mechanistic Insights into Dinitrogen Activation by a Diniobium Tetrahydride: Two-State Reactivity and the Role of Potassium Cation Promoter
inferred← citeshttps://doi.org/10.1021/acs.joc.7b00167openalex-snapshot
How the Coordinated Structures of Ag(I) Catalysts Affect the Outcomes of Carbon Dioxide Incorporation into Propargylic Amine: A DFT Study
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From CO2to 4H-Quinolizin-4-ones: A One-Pot Multicomponent Approach via Ag2O/Cs2CO3Orthogonal Tandem Catalysis
inferred← citeshttps://doi.org/10.1021/acs.joc.8b01767openalex-snapshot
Mechanisms of CO2 Incorporation into Propargylic Amine Catalyzed by Ag(I)/Amine Catalysts
inferred← citeshttps://doi.org/10.1021/acs.jpcc.2c08856openalex-snapshot
Propiolic Acid on Cu(100) and Oxygen-Precovered Cu(100): Multiple Adsorption States and Diversified Reaction Routes
inferred← citeshttps://doi.org/10.1021/acs.organomet.2c00546openalex-snapshot
Catalytic Carboxylation of Terminal Alkynes with Copper(I) Azothioformamide Complexes
inferred← citeshttps://doi.org/10.1021/acs.organomet.7b00010openalex-snapshot
Mechanistic Insights into the Copper-Cocatalyzed Sonogashira Cross-Coupling Reaction: Key Role of an Anion
inferred← citeshttps://doi.org/10.1021/acs.organomet.9b00830openalex-snapshot
The Reaction of Iron Acetylides with Carbon Dioxide
inferred← citeshttps://doi.org/10.1021/jo501837popenalex-snapshot
Computational Characterization of the Mechanism for Coinage-Metal-Catalyzed Carboxylation of Terminal Alkynes
inferred← citeshttps://doi.org/10.1039/9781788016131-00343openalex-snapshot
Transition Metal-catalysed Nucleophilic Additions of Terminal Alkynes in Water: Development and Synthetic Utility
inferred← citeshttps://doi.org/10.1039/c4gc01638fopenalex-snapshot
Silver tungstate: a single-component bifunctional catalyst for carboxylation of terminal alkynes with CO 2 in ambient conditions
inferred← citeshttps://doi.org/10.1039/c5cs00027kopenalex-snapshot
Silver-catalysed reactions of alkynes: recent advances
inferred← citeshttps://doi.org/10.1039/c6cs00107fopenalex-snapshot
Ag-catalyzed C–H/C–C bond functionalization
inferred← citeshttps://doi.org/10.1039/c6dt01746kopenalex-snapshot
Carboxylation of terminal alkynes with CO 2 using novel silver N-heterocyclic carbene complexes
inferred← citeshttps://doi.org/10.1039/c7gc00923bopenalex-snapshot
A Schiff base-modified silver catalyst for efficient fixation of CO 2 as carboxylic acid at ambient pressure
inferred← citeshttps://doi.org/10.1039/c7sc02859hopenalex-snapshot
Origins of high catalyst loading in copper( i )-catalysed Ullmann–Goldberg C–N coupling reactions
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Assessment of reactivities with explicit and implicit solvent models: QM/MM and gas-phase evaluation of three different Ag-catalysed furan ring formation routes
inferred← citeshttps://doi.org/10.1039/d0cy02473bopenalex-snapshot
Pre-carbonized nitrogen-rich polytriazines for the controlled growth of silver nanoparticles: catalysts for enhanced CO 2 chemical conversion at atmospheric pressure
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Silver( i )-catalyzed selective hydroalkoxylation of C2-alkynyl quinazolinones to synthesize quinazolinone-fused eight-membered N,O-heterocycles
inferred← citeshttps://doi.org/10.1039/d1cc01917aopenalex-snapshot
Computational study of silver-catalyzed stereoselective hydroalkylation of alkynes: Pauli repulsion controlled Z / E selectivity
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Silver nanoparticle-immobilized benzimidazole-linked porphyrin polymers for efficient carboxylation of terminal alkynes with CO 2
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Recent Advances in Catalyst Design for Carboxylation Using CO2 as the C1 Feedstock
inferred← citeshttps://doi.org/10.3390/catal15090870openalex-snapshot
Catalytic Carboxylation of Terminal Alkynes with CO2: An Overview
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Catalytic Behavior of NHC–Silver Complexes in the Carboxylation of Terminal Alkynes with CO2
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