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Rationalizing the Reactivity of Frustrated Lewis Pairs: Thermodynamics of H2 Activation and the Role of Acid−Base Properties

https://doi.org/10.1021/ja903878z
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Metal‐Free Catalytic Hydrogenation
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Metal‐Free Catalytic Hydrogenation
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What points at this work

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

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Metal‐Free Hydrogenation of Unsaturated Hydrocarbons Employing Molecular Hydrogen
inferred← citeshttps://doi.org/10.1002/anie.201406122openalex-snapshot
N‐Methylacridinium Salts: Carbon Lewis Acids in Frustrated Lewis Pairs for σ‐Bond Activation and Catalytic Reductions
inferred← citeshttps://doi.org/10.1002/anie.201409800openalex-snapshot
Frustrated Lewis Pair Chemistry: Development and Perspectives
inferred← citeshttps://doi.org/10.1002/anie.201410141openalex-snapshot
Intramolecular Frustrated Lewis Pair with the Smallest Boryl Site: Reversible H2 Addition and Kinetic Analysis
inferred← citeshttps://doi.org/10.1002/anie.201606639openalex-snapshot
Versatile Catalytic Hydrogenation Using A Simple Tin(IV) Lewis Acid
inferred← citeshttps://doi.org/10.1002/anie.201608520openalex-snapshot
Atom‐Efficient Synthesis of Alkynylfluoroborates Using BF3‐Based Frustrated Lewis Pairs
inferred← citeshttps://doi.org/10.1002/anie.201700625openalex-snapshot
An Intramolecular Silylene Borane Capable of Facile Activation of Small Molecules, Including Metal‐Free Dehydrogenation of Water
inferred← citeshttps://doi.org/10.1002/anie.201703591openalex-snapshot
Expanding the Boundaries of Water‐Tolerant Frustrated Lewis Pair Hydrogenation: Enhanced Back Strain in the Lewis Acid Enables the Reductive Amination of Carbonyls
inferred← citeshttps://doi.org/10.1002/anie.201808289openalex-snapshot
C2‐Symmetric Bicyclic Bisborane Catalysts: Kinetic or Thermodynamic Products of a Reversible Hydroboration of Dienes
inferred← citeshttps://doi.org/10.1002/anie.201808922openalex-snapshot
Single‐Electron Transfer Reactions in Frustrated and Conventional Silylium Ion/Phosphane Lewis Pairs
inferred← citeshttps://doi.org/10.1002/anie.201809634openalex-snapshot
Hydrogenation of CO2 to Formate with H2: Transition Metal Free Catalyst Based on a Lewis Pair
inferred← citeshttps://doi.org/10.1002/anie.202208987openalex-snapshot
Design of Frustrated Lewis Pair Catalysts for Direct Hydrogenation of CO 2
inferred← citeshttps://doi.org/10.1002/anie.202213399openalex-snapshot
Chiral Frustrated Lewis Pair@Metal‐Organic Framework as a New Platform for Heterogeneous Asymmetric Hydrogenation
inferred← citeshttps://doi.org/10.1002/anie.202422190openalex-snapshot
Abstraction of Hydride from Alkanes and Dihydrogen by the Perfluorotrityl Cation
inferred← citeshttps://doi.org/10.1002/anie.202504737openalex-snapshot
Frustrated Lewis Pair (FLP)‐Like (Cyclo)Addition of Small Organic Molecules to a Stable Azomethine Ylide
inferred← citeshttps://doi.org/10.1002/asia.202100772openalex-snapshot
Metal Effect Meets Volcano Plots: A DFT Study on Tris(phosphino)borane‐Transition Metal Complexes Catalyzed H2 Activation
inferred← citeshttps://doi.org/10.1002/ceur.202400020openalex-snapshot
Activation of σ‐Bonds by Group 13/Ylide‐Based Ambiphiles: Understanding and Design
inferred← citeshttps://doi.org/10.1002/chem.201002631openalex-snapshot
Designing Metal‐Free Catalysts by Mimicking Transition‐Metal Pincer Templates
inferred← citeshttps://doi.org/10.1002/chem.201100724openalex-snapshot
An Axially Chiral, Electron‐Deficient Borane: Synthesis, Coordination Chemistry, Lewis Acidity, and Reactivity
inferred← citeshttps://doi.org/10.1002/chem.201102438openalex-snapshot
Catalytic Hydrogenation with Frustrated Lewis Pairs: Selectivity Achieved by Size‐Exclusion Design of Lewis Acids
inferred← citeshttps://doi.org/10.1002/chem.201103346openalex-snapshot
The Role of Pendant Amines in the Breaking and Forming of Molecular Hydrogen Catalyzed by Nickel Complexes
inferred← citeshttps://doi.org/10.1002/chem.201200442openalex-snapshot
Inherent Stability Limits of Intramolecular Boron Nitrogen Lewis Acid–Base Pairs
inferred← citeshttps://doi.org/10.1002/chem.201202840openalex-snapshot
Reactivity of a Frustrated Lewis Pair and Small‐Molecule Activation by an Isolable Arduengo CarbeneB{3,5‐(CF3)2C6H3}3 Complex
inferred← citeshttps://doi.org/10.1002/chem.201203318openalex-snapshot
The Hydride‐Ion Affinity of Borenium Cations and Their Propensity to Activate H2 in Frustrated Lewis Pairs
inferred← citeshttps://doi.org/10.1002/chem.201301029openalex-snapshot
Theoretical Insights on the Effects of Mechanical Interlocking of Secondary Amines with Polyether Macrocycles for Frustrated‐Lewis‐Pair‐Type Hydrogen Activation
inferred← citeshttps://doi.org/10.1002/chem.201301158openalex-snapshot
Tuning the Lewis Acidity of Boranes in Frustrated Lewis Pair Chemistry: Implications for the Hydrogenation of Electron‐Poor Alkenes
inferred← citeshttps://doi.org/10.1002/chem.201302727openalex-snapshot
On the Mechanism of Hydrogen Activation by Frustrated Lewis Pairs
inferred← citeshttps://doi.org/10.1002/chem.201405891openalex-snapshot
Conceptual Quantum Chemical Analysis of Bonding and Noncovalent Interactions in the Formation of Frustrated Lewis Pairs
inferred← citeshttps://doi.org/10.1002/chem.201501899openalex-snapshot
Heterolysis of H2 Across a Classical Lewis Pair, 2,6‐Lutidine⋅BCl3: Synthesis, Characterization, and Mechanism
inferred← citeshttps://doi.org/10.1002/chem.201600716openalex-snapshot
Structure–Reactivity Relationship in the Frustrated Lewis Pair (FLP)‐Catalyzed Hydrogenation of Imines
inferred← citeshttps://doi.org/10.1002/chem.201603050openalex-snapshot
A Frustrated Phosphane–Borane Lewis Pair and Hydrogen: A Kinetics Study
inferred← citeshttps://doi.org/10.1002/chem.201603889openalex-snapshot
Deeper Insight into the Factors Controlling H2 Activation by Geminal Aminoborane‐Based Frustrated Lewis Pairs
inferred← citeshttps://doi.org/10.1002/chem.201604127openalex-snapshot
Understanding the Role of Dispersion in Frustrated Lewis Pairs and Classical Lewis Adducts: A Domain‐Based Local Pair Natural Orbital Coupled Cluster Study
inferred← citeshttps://doi.org/10.1002/chem.201700437openalex-snapshot
Carbonyl Activation by Borane Lewis Acid Complexation: Transition States of H2 Splitting at the Activated Carbonyl Carbon Atom in a Lewis Basic Solvent and the Proton‐Transfer Dynamics of the Boroalkoxide Intermediate
inferred← citeshttps://doi.org/10.1002/chem.201700937openalex-snapshot
Computational Elucidation of a Role That Brønsted Acidification of the Lewis Acid‐Bound Water Might Play in the Hydrogenation of Carbonyl Compounds with H2 in Lewis Basic Solvents
inferred← citeshttps://doi.org/10.1002/chem.201701080openalex-snapshot
Reactivity‐Tuning in Frustrated Lewis Pairs: Nucleophilicity and Lewis Basicity of Sterically Hindered Phosphines
inferred← citeshttps://doi.org/10.1002/chem.201702149openalex-snapshot
Theory‐Based Extension of the Catalyst Scope in the Base‐Catalyzed Hydrogenation of Ketones: RCOOH‐Catalyzed Hydrogenation of Carbonyl Compounds with H2 Involving a Proton Shuttle
inferred← citeshttps://doi.org/10.1002/chem.201800864openalex-snapshot
Hydrogenation of Multiple Bonds by Geminal Aminoborane‐Based Frustrated Lewis Pairs
inferred← citeshttps://doi.org/10.1002/chem.201804198openalex-snapshot
Influence of the Lewis Acid/Base Pairs on the Reactivity of Geminal E‐CH 2 ‐E′ Frustrated Lewis Pairs
inferred← citeshttps://doi.org/10.1002/chem.202005143openalex-snapshot
Small Molecule Activation with Intramolecular “Inverse” Frustrated Lewis Pairs
inferred← citeshttps://doi.org/10.1002/chem.202303185openalex-snapshot
Stabilization of Diborynes versus Destabilization of Diborenes by Coordination of Lewis Bases: Unravelling the Dichotomy
inferred← citeshttps://doi.org/10.1002/chem.202502344openalex-snapshot
Frustrated Lewis Pair (FLP) Reactivity from Carbone–BPh 3 Lewis Adduct
inferred← citeshttps://doi.org/10.1002/cphc.200900829openalex-snapshot
High‐Pressure Hydrogen Interactions with Polyaminoborane and Polyiminoborane
inferred← citeshttps://doi.org/10.1002/cphc.201402450openalex-snapshot
How Frustrated Lewis Acid/Base Systems Pass through Transition‐State Regions: H2 Cleavage by [tBu3P/B(C6F5)3]
inferred← citeshttps://doi.org/10.1002/cphc.201402519openalex-snapshot
Ab Initio Molecular Dynamics Study of Hydrogen Cleavage by a Lewis Base [tBu3P] and a Lewis Acid [B(C6F5)3] at the Mesoscopic Level—Dynamics in the Solute–Solvent Molecular Clusters
inferred← citeshttps://doi.org/10.1002/cphc.202100093openalex-snapshot
Effects of Ionic Liquids on the Thermodynamics of Hydrogen Activation by Frustrated Lewis Pairs: A Density Functional Theory Study**
inferred← citeshttps://doi.org/10.1002/cphc.202100527openalex-snapshot
Rational Development of a Metal‐Free Bifunctional System for the C−H Activation of Methane: A Density Functional Theory Investigation
inferred← citeshttps://doi.org/10.1002/cssc.201600197openalex-snapshot
Graphene from Alginate Pyrolysis as a Metal‐Free Catalyst for Hydrogenation of Nitro Compounds
inferred← citeshttps://doi.org/10.1002/ejic.201000242openalex-snapshot
Reversible Heterolytic Methane Activation of Metal‐Free Closed‐Shell Molecules: A Computational Proof‐of‐Principle Study
inferred← citeshttps://doi.org/10.1002/ejic.201100779openalex-snapshot
Experimental and Theoretical Studies of the Potential Interconversion of the Amine–Borane iPr2NH·BH(C6F5)2 and the Aminoborane iPr2N=B(C6F5)2 Involving Hydrogen Loss and Uptake
inferred← citeshttps://doi.org/10.1002/ejic.201700016openalex-snapshot
Comparison of Intramolecular and Intermolecular Ammonium and Phosphonium Borohydrides in Hydrogen‐, Proton‐, and Hydride‐Transfer Reactions
inferred← citeshttps://doi.org/10.1002/ejic.201700267openalex-snapshot
Insights into Frustrated and Regular peri‐Substituted (Ace‐)Naphthylaminoboranes and (Ace‐)Naphthylphosphinoboranes
inferred← citeshttps://doi.org/10.1002/ejic.202500104openalex-snapshot
Activation of Small Molecules by Readily Accessible Alkylborane‐Based Frustrated Lewis Pairs
inferred← citeshttps://doi.org/10.1002/ejoc.201402263openalex-snapshot
Is the Perfluorinated Trityl Cation Worth a Revisit? A Theoretical Study on the Lewis Acidities and Stabilities of Highly Halogenated Trityl Derivatives
inferred← citeshttps://doi.org/10.1002/ejoc.201800944openalex-snapshot
Mechanisms in Frustrated Lewis Pair‐Catalyzed Reactions
inferred← citeshttps://doi.org/10.1002/ijch.201400138openalex-snapshot
The Association of Two “Frustrated” Lewis Pairs by State‐of‐the‐Art Quantum Chemical Methods
inferred← citeshttps://doi.org/10.1002/ijch.201400139openalex-snapshot
Experimental Insights into the Structure and Reactivity of Frustrated Lewis Pairs
inferred← citeshttps://doi.org/10.1002/ijch.201400142openalex-snapshot
Kinetic and Thermodynamic Study of the Reduction of 1,1‐Diphenylethylene by a Thermally Frustrated Diethyl Ether‐BCF Lewis Pair
inferred← citeshttps://doi.org/10.1002/ijch.201400159openalex-snapshot
Chemistry of Intermolecular Frustrated Lewis Pairs in Motion: Emerging Perspectives and Prospects
inferred← citeshttps://doi.org/10.1002/nadc.20174055283openalex-snapshot
Reaktivität verstehen, ohne die Katalysatorstruktur zu kennen
inferred← citeshttps://doi.org/10.1002/open.202300179openalex-snapshot
Unraveling Reactivity Pathways: Dihydrogen Activation and Hydrogenation of Multiple Bonds by Pyramidalized Boron‐Based Frustrated Lewis Pairs
inferred← citeshttps://doi.org/10.1002/poc.4652openalex-snapshot
Density functional theory study on frustrated Lewis pairs catalyzed C‐H activation of heteroarenes: Mechanism variation tuning by electronic effect
inferred← citeshttps://doi.org/10.1002/qua.22901openalex-snapshot
Steric and electronic effects on the heterolytic H2‐splitting by phosphine‐boranes R3B/PR′3(R = C6F5, Ph; R′ = C6H2Me3,tBu, Ph, C6F5, Me, H): A computational study
inferred← citeshttps://doi.org/10.1002/wcms.1193openalex-snapshot
Double‐hybrid density functionals
inferred← citeshttps://doi.org/10.1007/128_2012_373openalex-snapshot
Intramolecular Frustrated Lewis Pairs: Formation and Chemical Features
inferred← citeshttps://doi.org/10.1007/128_2012_377openalex-snapshot
FLP-Mediated Activations and Reductions of CO2 and CO
inferred← citeshttps://doi.org/10.1007/128_2012_378openalex-snapshot
Computational Studies of Lewis Acidity and Basicity in Frustrated Lewis Pairs
inferred← citeshttps://doi.org/10.1007/128_2012_379openalex-snapshot
N-Heterocyclic Carbenes in FLP Chemistry
inferred← citeshttps://doi.org/10.1007/128_2012_382openalex-snapshot
New Organoboranes in “Frustrated Lewis Pair” Chemistry
inferred← citeshttps://doi.org/10.1007/128_2012_385openalex-snapshot
Computational Design of Metal-Free Molecules for Activation of Small Molecules, Hydrogenation, and Hydroamination
inferred← citeshttps://doi.org/10.1007/128_2012_391openalex-snapshot
Amine-Borane Mediated Metal-Free Hydrogen Activation and Catalytic Hydrogenation
inferred← citeshttps://doi.org/10.1007/128_2012_392openalex-snapshot
Frustrated Lewis Pair Mediated Hydrogenations
inferred← citeshttps://doi.org/10.1007/128_2012_395openalex-snapshot
Frustrated Lewis Pairs Beyond the Main Group: Transition Metal-Containing Systems
inferred← citeshttps://doi.org/10.1007/128_2012_399openalex-snapshot
Hydrogen Activation by Frustrated Lewis Pairs: Insights from Computational Studies
inferred← citeshttps://doi.org/10.1007/128_2014_543openalex-snapshot
Accurate Thermochemistry for Large Molecules with Modern Density Functionals
inferred← citeshttps://doi.org/10.1007/3418_2016_173openalex-snapshot
Chiral Borane-Based Lewis Acids for Metal Free Hydrogenations
inferred← citeshttps://doi.org/10.1007/978-3-030-58888-5_5openalex-snapshot
Mechanistic Insight into the Hydrogen Activation by Frustrated Lewis Pairs
inferred← citeshttps://doi.org/10.1007/s00214-016-1829-5openalex-snapshot
On the thermodynamic stability of the intermolecular association between Lewis acids and Lewis bases: a DFT study
inferred← citeshttps://doi.org/10.1007/s00214-020-02698-6openalex-snapshot
Can a decrease in anti-aromaticity increase the dihydrogen activation ability of a frustrated phosphorous/borane Lewis pair?: a DFT study
inferred← citeshttps://doi.org/10.1007/s00894-017-3404-yopenalex-snapshot
A DFT study of hydrogen and methane activation by B(C6F5)3/P(t-Bu)3 and Al(C6F5)3/P(t-Bu)3 frustrated Lewis pairs
inferred← citeshttps://doi.org/10.1007/s00894-018-3776-7openalex-snapshot
Chemical reactivity of the frustrated Lewis pairs in borophosphines: a theoretical analysis of their Lewis acidity, Lewis basicity and Fukui function
inferred← citeshttps://doi.org/10.1007/s12039-021-02010-4openalex-snapshot
Possible C-F bond activation by B(C6F5)3/lutidine and Al(C6F5)3/lutidine frustrated Lewis pair: an in silico study
inferred← citeshttps://doi.org/10.1007/s12039-026-02532-9openalex-snapshot
Selective phosphate adsorption from wastewater using dual Lewis acid catalyst: A metal-free approach
inferred← citeshttps://doi.org/10.1007/s13404-017-0219-7openalex-snapshot
Gold-based frustrated Lewis acid/base pairs (FLPs)
inferred← citeshttps://doi.org/10.1016/b978-0-08-097774-4.00931-1openalex-snapshot
H–H Bond Activation
inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.11189-8openalex-snapshot
Uncovering the Synthetic Potential of Frustrated Lewis Pairs
inferred← citeshttps://doi.org/10.1016/b978-0-12-818429-5.00003-xopenalex-snapshot
Rivaling transition metal reactivity—an exploration of frustrated Lewis pairs chemistry
inferred← citeshttps://doi.org/10.1016/b978-0-12-820206-7.00129-3openalex-snapshot
Frustrated Lewis Pair Systems
inferred← citeshttps://doi.org/10.1016/b978-0-12-822943-9.00023-1openalex-snapshot
Application of frustrated Lewis pairs in small molecule activation and associated transformations
inferred← citeshttps://doi.org/10.1016/j.apcata.2022.118601openalex-snapshot
Improving and stabilizing fluorinated aryl borane catalysts for epoxide ring-opening
inferred← citeshttps://doi.org/10.1016/j.cattod.2014.10.040openalex-snapshot
Catalytic reduction of polar substrates without metals: A thermodynamic and kinetic study of heterolytic activation of hydrogen by vacancies in frustrated Lewis pairs
inferred← citeshttps://doi.org/10.1016/j.cclet.2018.02.007openalex-snapshot
Rational design of FLP catalysts for reversible H2 activation: A DFT study of the geometric and electronic effects
inferred← citeshttps://doi.org/10.1016/j.ccr.2018.09.014openalex-snapshot
From structure to novel reactivity in frustrated Lewis pairs
inferred← citeshttps://doi.org/10.1016/j.ccr.2025.216948openalex-snapshot
Activation of small molecules by polytopic main-group lewis acids
inferred← citeshttps://doi.org/10.1016/j.chempr.2017.05.022openalex-snapshot
A Radical Mechanism for Frustrated Lewis Pair Reactivity
inferred← citeshttps://doi.org/10.1016/j.comptc.2013.10.023openalex-snapshot
Ammonia and hydrazine synthesis from [N2-W{(NHCH2CH2)3N}] and [AH]+[BH]− using Sivasankar catalytic cycle: DFT studies
inferred← citeshttps://doi.org/10.1016/j.comptc.2016.04.005openalex-snapshot
Choosing an appropriate model chemistry in a big data context: Application to dative bonding
inferred← citeshttps://doi.org/10.1016/j.comptc.2018.03.027openalex-snapshot
Density functional reactivity theory characterizing the reactivity of frustrated Lewis pairs
inferred← citeshttps://doi.org/10.1016/j.cplett.2012.05.009openalex-snapshot
Theoretical study on the reactivity of Lewis pairs PR3/B(C6F5)3 (R = Me, Ph, tBu, C6F5)
inferred← citeshttps://doi.org/10.1016/j.cplett.2021.138623openalex-snapshot
A computational investigation of the activation of allene (H2C = C = CHR; R = H, CH3, CN) by a frustrated phosphorous/boron Lewis pair
inferred← citeshttps://doi.org/10.1016/j.gee.2018.06.001openalex-snapshot
Reaction mechanism of hydrogen activation by frustrated Lewis pairs
inferred← citeshttps://doi.org/10.1016/j.ica.2010.12.022openalex-snapshot
Metal-free carbon dioxide reduction and acidic C–H activations using a frustrated Lewis pair
inferred← citeshttps://doi.org/10.1016/j.ijhydene.2023.01.304openalex-snapshot
Balancing molecular level influences of intermolecular frustrated Lewis pairs (FLP) for successful design of FLP catalysts for hydrogen storage applications
inferred← citeshttps://doi.org/10.1016/j.ijhydene.2025.152499openalex-snapshot
Unraveling H2 dissociation in CO2 hydrogenation on frustrated Lewis pair-functionalized UiO–67: DFT and nuclear quantum effects
inferred← citeshttps://doi.org/10.1016/j.jcat.2019.03.029openalex-snapshot
A computational mechanistic insight into H2 activation and CO2 reduction over β-Diketiminato-ligated group 13 metal complexes
inferred← citeshttps://doi.org/10.1016/j.jcat.2024.115571openalex-snapshot
Advancing CO2 hydrogenation to formic Acid: DFT insights into Frustrated Lewis Pair−Functionalized UiO−67 catalysts
inferred← citeshttps://doi.org/10.1016/j.jcat.2025.116275openalex-snapshot
Unlocking efficient CO2–to–methanol conversion on frustrated Lewis pair-functionalized UiO–67: A synergistic approach using DFT and SISSO
inferred← citeshttps://doi.org/10.1016/j.jmgm.2021.107846openalex-snapshot
A review of quantum chemical studies of Frustrated Lewis Pairs
inferred← citeshttps://doi.org/10.1016/j.jorganchem.2012.10.032openalex-snapshot
Ditopic ligands featuring [P,S], [P,P] or [P,B] chelating pockets housed on a protected o-hydroquinone core
inferred← citeshttps://doi.org/10.1016/j.jorganchem.2017.04.031openalex-snapshot
Correlating electronic and catalytic properties of frustrated Lewis pairs for imine hydrogenation
inferred← citeshttps://doi.org/10.1016/j.mcat.2023.113198openalex-snapshot
The superiority of non-frustrated over frustrated Lewis pairs in the copper-catalyzed hydrogenation of CO2 to formate
inferred← citeshttps://doi.org/10.1016/j.poly.2019.01.025openalex-snapshot
Designing metal-free frustrated Lewis pairs for dihydrogen activation based on a carbene–borane system
inferred← citeshttps://doi.org/10.1016/j.tetlet.2023.154411openalex-snapshot
A computational mechanistic study of the cleavage of sulfur-sulfur bond by Frustrated Lewis Pairs
inferred← citeshttps://doi.org/10.1021/acs.accounts.2c00832openalex-snapshot
Structure–Reactivity Relationships in Borane-Based FLP-Catalyzed Hydrogenations, Dehydrogenations, and Cycloisomerizations
inferred← citeshttps://doi.org/10.1021/acs.chemmater.1c03105openalex-snapshot
Phosphines Modulating the Catalytic Silane Activation on Nickel–Cobalt Nanoparticles, Tentatively Attributed to Frustrated Lewis Pairs in a Colloidal Solution
inferred← citeshttps://doi.org/10.1021/acs.chemrev.6b00168openalex-snapshot
Thermodynamic Hydricity of Transition Metal Hydrides
inferred← citeshttps://doi.org/10.1021/acs.chemrev.8b00561openalex-snapshot
Metallomimetic Chemistry of Boron
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.1c01543openalex-snapshot
Investigating Tetrel-Based Neutral Frustrated Lewis Pairs for Hydrogen Activation
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.1c01809openalex-snapshot
Significant Insight into the Origin of Reaction Barriers Determining Dihydrogen Activation by G13-P-P (G13 = Group 13 Element) and G15-P-Ga (G15 = Group 15 Element) Frustrated Lewis Pairs
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.6c02395openalex-snapshot
Cis – Trans Isomerism and Hydride Thermodynamics Govern H2 Activation and Hydrogenation Activity in Indium(III) Pincer Complexes
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.9b00501openalex-snapshot
Carbones and Heavier Ylidones (EL2) in Frustrated Lewis Pair Chemistry: Influence of the Nature of EL2 on Dihydrogen Activation
inferred← citeshttps://doi.org/10.1021/acs.jpca.0c02799openalex-snapshot
Cycloaddition Reactions between H2C = CHR (R = H, CN, CH3) and a Cyclic P/B Frustrated Lewis Pair: A DFT Study
inferred← citeshttps://doi.org/10.1021/acs.jpca.0c03108openalex-snapshot
Optimizing the Energetics of FLP-Type H2 Activation by Modulating the Electronic and Structural Properties of the Lewis Acids: A DFT Study
inferred← citeshttps://doi.org/10.1021/acs.jpca.3c02141openalex-snapshot
Frustrated Lewis Pairs: Bonding, Reactivity, and Applications
inferred← citeshttps://doi.org/10.1021/acs.jpca.7b08582openalex-snapshot
Calorimetric Study of the Activation of Hydrogen by Tris(pentafluorophenyl)borane and Trimesitylphosphine
inferred← citeshttps://doi.org/10.1021/acs.jpca.7b11851openalex-snapshot
Surprisingly Flexible Oxonium/Borohydride Ion Pair Configurations
inferred← citeshttps://doi.org/10.1021/acs.jpca.8b06830openalex-snapshot
H 2 Cleavage by Frustrated Lewis Pairs Characterized by the Energy Decomposition Analysis of Transition States: An Alternative to the Electron Transfer and Electric Field Models
inferred← citeshttps://doi.org/10.1021/acs.jpca.9b08573openalex-snapshot
Understanding the Reactivity of Neutral Geminal Group 14 Element/Phosphorus Frustrated Lewis Pairs
inferred← citeshttps://doi.org/10.1021/acs.jpcc.5c02882openalex-snapshot
The First Frustrated Lewis Pairs Database: Machine Learning and Cheminformatics-Aided Prediction of Small Molecule Activation
inferred← citeshttps://doi.org/10.1021/acs.jpclett.2c02447openalex-snapshot
Modeling Absolute Redox Potentials of Ferrocene in the Condensed Phase
inferred← citeshttps://doi.org/10.1021/acs.organomet.5b00927openalex-snapshot
A Frustrated Lewis Pair Based on a Cationic Aluminum Complex and Triphenylphosphine
inferred← citeshttps://doi.org/10.1021/acs.organomet.7b00819openalex-snapshot
Frustrated Lewis Pair Behavior of an Open, Noninteracting Phosphane/Borane Pair at a Rigid Organic Framework: Exploring Decisive Factors for FLP Activity
inferred← citeshttps://doi.org/10.1021/acs.orglett.1c01073openalex-snapshot
Controlling the Lewis Acidity and Polymerizing Effectively Prevent Frustrated Lewis Pairs from Deactivation in the Hydrogenation of Terminal Alkynes
inferred← citeshttps://doi.org/10.1021/acs.orglett.6b03868openalex-snapshot
Mechanistic Investigations of Reactions of the Frustrated Lewis Pairs (Triarylphosphines/B(C6F5)3) with Michael Acceptors
inferred← citeshttps://doi.org/10.1021/acscatal.0c04263openalex-snapshot
Origin of Stereoselectivity in FLP-Catalyzed Asymmetric Hydrogenation of Imines
inferred← citeshttps://doi.org/10.1021/acscatal.5b00396openalex-snapshot
Design of Lewis Pair-Functionalized Metal Organic Frameworks for CO 2 Hydrogenation
inferred← citeshttps://doi.org/10.1021/acscatal.5b01191openalex-snapshot
Screening Lewis Pair Moieties for Catalytic Hydrogenation of CO 2 in Functionalized UiO-66
inferred← citeshttps://doi.org/10.1021/acscatal.8b00152openalex-snapshot
Catalytic Dehydrogenation of (Di)Amine-Boranes with a Geometrically Constrained Phosphine-Borane Lewis Pair
inferred← citeshttps://doi.org/10.1021/acscatal.9b01137openalex-snapshot
Mechanism of Heterolytic Hydrogen Splitting by Frustrated Lewis Pairs: Comparison of Static and Dynamic Models
inferred← citeshttps://doi.org/10.1021/acsomega.2c07442openalex-snapshot
Computational Design of Frustrated Lewis Pairs as a Strategy for Catalytic Hydrogen Activation and Hydrogenation Catalyst
inferred← citeshttps://doi.org/10.1021/ct1000846openalex-snapshot
Using Nonempirical Semilocal Density Functionals and Empirical Dispersion Corrections to Model Dative Bonding in Substituted Boranes
inferred← citeshttps://doi.org/10.1021/ic201182popenalex-snapshot
Computational Studies of Lewis Acidities of Tris(fluorophenyl)-Substituted Boranes: An Additive Relationship between Lewis Acidity and Fluorine Position
inferred← citeshttps://doi.org/10.1021/ic500284qopenalex-snapshot
Uncovering the Role of Intra- and Intermolecular Motion in Frustrated Lewis Acid/Base Chemistry: Ab Initio Molecular Dynamics Study of CO2 Binding by Phosphorus/Boron Frustrated Lewis Pair [tBu3P/B(C6F5)3]
inferred← citeshttps://doi.org/10.1021/ic902039gopenalex-snapshot
Computationally Designed Metal-Free Hydrogen Activation Site: Reaching the Reactivity of Metal−Ligand Bifunctional Hydrogenation Catalysts
inferred← citeshttps://doi.org/10.1021/ja100574nopenalex-snapshot
Homogeneous CO Hydrogenation: Dihydrogen Activation Involves a Frustrated Lewis Pair Instead of a Platinum Complex
inferred← citeshttps://doi.org/10.1021/ja104264vopenalex-snapshot
Alternative Mechanistic Explanation for Ligand-Dependent Selectivities in Copper-Catalyzed N - and O -Arylation Reactions
inferred← citeshttps://doi.org/10.1021/ja105075hopenalex-snapshot
Dihydrogen Activation by Antiaromatic Pentaarylboroles
inferred← citeshttps://doi.org/10.1021/ja203214fopenalex-snapshot
Dihydrogen Activation with tBu3P/B(C6F5)3: A Chemically Competent Indirect Mechanism via in Situ-Generated p-tBu2P–C6F4–B(C6F5)2
inferred← citeshttps://doi.org/10.1021/ja206394wopenalex-snapshot
Molecular Hydrogen Tweezers: Structure and Mechanisms by Neutron Diffraction, NMR, and Deuterium Labeling Studies in Solid and Solution
inferred← citeshttps://doi.org/10.1021/ja210214ropenalex-snapshot
Preorganized Frustrated Lewis Pairs
inferred← citeshttps://doi.org/10.1021/ja307995fopenalex-snapshot
Activation of Hydrogen and Hydrogenation Catalysis by a Borenium Cation
inferred← citeshttps://doi.org/10.1021/ja400338eopenalex-snapshot
Noninteracting, Vicinal Frustrated P/B-Lewis Pair at the Norbornane Framework: Synthesis, Characterization, and Reactions
inferred← citeshttps://doi.org/10.1021/ja409330hopenalex-snapshot
A Zwitterionic Carbanion Frustrated by Boranes – Dihydrogen Cleavage with Weak Lewis Acids via an “Inverse” Frustrated Lewis Pair Approach
inferred← citeshttps://doi.org/10.1021/ja413060uopenalex-snapshot
Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs
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