Albert Poater

Research interests

Publications

• % V Bur index and steric maps: from predictive catalysis to machine learning

  Chemical Society Reviews · 2023 · https://doi.org/10.1039/d3cs00725a

• Mechanistic Aspects of the Palladium‐Catalyzed Suzuki‐Miyaura Cross‐Coupling Reaction

  Chemistry - A European Journal · 2021 · https://doi.org/10.1002/chem.202101880

• Amino acid ionic liquids as potential candidates for CO2 capture: Combined density functional theory and molecular dynamics simulations

  Chemical Physics Letters · 2020 · https://doi.org/10.1016/j.cplett.2020.137239

• Towards the online computer-aided design of catalytic pockets

  Nature Chemistry · 2019 · https://doi.org/10.1038/s41557-019-0319-5

• Computational modeling of heterogeneous Ziegler-Natta catalysts for olefins polymerization

  Progress in Polymer Science · 2018 · https://doi.org/10.1016/j.progpolymsci.2018.06.005

• Ligand-Controlled Chemoselective C(acyl)–O Bond vs C(aryl)–C Bond Activation of Aromatic Esters in Nickel Catalyzed C(sp2)–C(sp3) Cross-Couplings

  Journal of the American Chemical Society · 2018 · https://doi.org/10.1021/jacs.7b12865

• Well-Defined Phosphine-Free Iron-Catalyzed N-Ethylation and N-Methylation of Amines with Ethanol and Methanol

  Organic Letters · 2018 · https://doi.org/10.1021/acs.orglett.8b02080

• Assessing the pKa‐Dependent Activity of Hydroxyl Hydrogen Bond Donors in the Organocatalyzed Cycloaddition of Carbon Dioxide to Epoxides: Experimental and Theoretical Study

  Advanced Synthesis & Catalysis · 2018 · https://doi.org/10.1002/adsc.201801093

• Ascorbic Acid as a Bifunctional Hydrogen Bond Donor for the Synthesis of Cyclic Carbonates from CO2 under Ambient Conditions

  ACS Sustainable Chemistry & Engineering · 2017 · https://doi.org/10.1021/acssuschemeng.7b01650

• SambVca 2. A Web Tool for Analyzing Catalytic Pockets with Topographic Steric Maps

  Organometallics · 2016 · https://doi.org/10.1021/acs.organomet.6b00371

• What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?

  Chemical Science · 2015 · https://doi.org/10.1039/c4sc03264k

• Cooperative Effect of Monopodal Silica-Supported Niobium Complex Pairs Enhancing Catalytic Cyclic Carbonate Production

  Journal of the American Chemical Society · 2015 · https://doi.org/10.1021/jacs.5b02872

• The Activation Mechanism of Ru–Indenylidene Complexes in Olefin Metathesis

  Journal of the American Chemical Society · 2013 · https://doi.org/10.1021/ja402700p

• Bifunctional (Cyclopentadienone)Iron–Tricarbonyl Complexes: Synthesis, Computational Studies and Application in Reductive Amination

  Chemistry - A European Journal · 2013 · https://doi.org/10.1002/chem.201302432

• The Isolation of [Pd{OC(O)H}(H)(NHC)(PR3)] (NHC = N-Heterocyclic Carbene) and Its Role in Alkene and Alkyne Reductions Using Formic Acid

  Journal of the American Chemical Society · 2013 · https://doi.org/10.1021/ja311087c

• Selectivity Switch in the Synthesis of Vinylgold(I) Intermediates

  Organometallics · 2011 · https://doi.org/10.1021/om2009556

• Comparing the Enantioselective Power of Steric and Electrostatic Effects in Transition‐Metal‐Catalyzed Asymmetric Synthesis

  Chemistry - A European Journal · 2010 · https://doi.org/10.1002/chem.201001938

• Flexibility of N-Heterocyclic Carbene Ligands in Ruthenium Complexes Relevant to Olefin Metathesis and Their Impact in the First Coordination Sphere of the Metal

  Journal of the American Chemical Society · 2010 · https://doi.org/10.1021/ja909441x

• Facile C−H Bond Cleavage via a Proton-Coupled Electron Transfer Involving a C−H···CuIIInteraction

  Journal of the American Chemical Society · 2010 · https://doi.org/10.1021/ja101599e

• [{Au(IPr)}2(μ‐OH)]X Complexes: Synthetic, Structural and Catalytic Studies

  Chemistry - A European Journal · 2010 · https://doi.org/10.1002/chem.201002607

• Samb V ca: A Web Application for the Calculation of the Buried Volume of N‐Heterocyclic Carbene Ligands

  European Journal of Inorganic Chemistry · 2009 · https://doi.org/10.1002/ejic.200801160

• Identification and Characterization of a New Family of Catalytically Highly Active Imidazolin-2-ylidenes

  Journal of the American Chemical Society · 2008 · https://doi.org/10.1021/ja800861p

• Understanding the M (NHC) (NHC = N-heterocyclic carbene) bond

  Coordination Chemistry Reviews · 2008 · https://doi.org/10.1016/j.ccr.2008.06.006

• Thermodynamics of N-Heterocyclic Carbene Dimerization: The Balance of Sterics and Electronics

  Organometallics · 2008 · https://doi.org/10.1021/om8001119

• Understanding d0-Olefin Metathesis Catalysts: Which Metal, Which Ligands?

  Journal of the American Chemical Society · 2007 · https://doi.org/10.1021/ja070625y

Current projects

No projects listed.