A strategy for developing metal-free hydrogenation catalysts: a DFT proof-of-principle study

Ambiphilic Molecules: From Organometallic Curiosity to Metal-Free Catalysts

(2018) Frédéric-Georges Fontaine et al.   ACCOUNTS OF CHEMICAL RESEARCH

Frustrated Lewis Pair Catalyzed C–H Activation of Heteroarenes: A Stepwise Carbene Mechanism Due to Distance Effect

(2018) Youxiang Shao et al.   ORGANIC LETTERS

Metal-Free Borylation of Heteroarenes Using Ambiphilic Aminoboranes: On the Importance of Sterics in Frustrated Lewis Pair C–H Bond Activation

(2017) Julien Légaré Lavergne et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

On the concept of frustrated Lewis pairs

(2017) Frédéric-Georges Fontaine et al.   PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

Frustrated Lewis Pair (FLP)-Catalyzed Hydrogenation of Aza-Morita–Baylis–Hillman Adducts and Sequential Organo-FLP Catalysis

(2017) Imtiaz Khan et al.   ACS Catalysis

Phosphorus Lewis acids: emerging reactivity and applications in catalysis

(2016) J. M. Bayne et al.   CHEMICAL SOCIETY REVIEWS

Why Does the Intramolecular Trimethylene-Bridged Frustrated Lewis Pair Mes2 PCH2 CH2 CH2 B(C6 F5 )2 Not Activate Dihydrogen?

(2016) Thomas Özgün et al.   CHEMISTRY-A EUROPEAN JOURNAL

Reversible Aromaticity Transfer in a Bora-Cycle: Boron–Ligand Cooperation

(2016) Urs Gellrich et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Metal-Free sp2-C–H Borylation as a Common Reactivity Pattern of Frustrated 2-Aminophenylboranes

(2016) Konstantin Chernichenko et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Metal-free homolytic hydrogen activation: a quest through density functional theory computations

(2016) Chenggen Zhang et al.   NEW JOURNAL OF CHEMISTRY

The broadening reach of frustrated Lewis pair chemistry

(2016) D. W. Stephan   SCIENCE

Frustrated Lewis Pair Catalysts in Two Dimensions: B/Al-Doped Phosphorenes as Promising Catalysts for Hydrogenation of Small Unsaturated Molecules

(2016) Jingxiang Zhao et al.   ACS Catalysis

Electrophilic Fluorophosphonium Cations in Frustrated Lewis Pair Hydrogen Activation and Catalytic Hydrogenation of Olefins

(2015) Thorsten vom Stein et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Facile Protocol for Catalytic Frustrated Lewis Pair Hydrogenation and Reductive Deoxygenation of Ketones and Aldehydes

(2015) Tayseer Mahdi et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Frustrated Lewis Pair Chemistry: Development and Perspectives

(2015) Douglas W. Stephan et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Functionalization of Intramolecular Frustrated Lewis Pairs by 1,1-Carboboration with Conjugated Enynes

(2015) Andreas Feldmann et al.   CHEMISTRY-A EUROPEAN JOURNAL

Chiral Molecular Tweezers: Synthesis and Reactivity in Asymmetric Hydrogenation

(2015) Markus Lindqvist et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

1,2-Diphosphonium Dication: A Strong P-Based Lewis Acid in Frustrated Lewis Pair (FLP)-Activations of B–H, Si–H, C–H, and H–H Bonds

(2015) Michael H. Holthausen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Frustrated Lewis Pairs

(2015) Douglas W. Stephan   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Organoborane Catalyzed Regioselective 1,4-Hydroboration of Pyridines

(2015) Xiaoting Fan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Metal-free catalytic C-H bond activation and borylation of heteroarenes

(2015) M.-A. Legare et al.   SCIENCE

Moisture-Tolerant Frustrated Lewis Pair Catalyst for Hydrogenation of Aldehydes and Ketones

(2015) Ádám Gyömöre et al.   ACS Catalysis

Frustrated Lewis Pairs: From Concept to Catalysis

(2014) Douglas W. Stephan   ACCOUNTS OF CHEMICAL RESEARCH

Metal-Free Hydrogenation of Unsaturated Hydrocarbons Employing Molecular Hydrogen

(2014) Jan Paradies   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Bond Activation and Catalysis by Ruthenium Pincer Complexes

(2014) Chidambaram Gunanathan et al.   CHEMICAL REVIEWS

Bis-BN Cyclohexane: A Remarkably Kinetically Stable Chemical Hydrogen Storage Material

(2014) Gang Chen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Probing Site Cooperativity of Frustrated Phosphine/Borane Lewis Pairs by a Polymerization Study

(2014) Tieqi Xu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Highly Enantioselective Hydrogenation of Silyl Enol Ethers Catalyzed by Chiral Frustrated Lewis Pairs

(2014) Simin Wei et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Enabling Catalytic Ketone Hydrogenation by Frustrated Lewis Pairs

(2014) Tayseer Mahdi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Nonmetal Catalyzed Hydrogenation of Carbonyl Compounds

(2014) Daniel J. Scott et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Metal-free asymmetric hydrogenation and hydrosilylation catalyzed by frustrated Lewis pairs

(2014) Xiangqing Feng et al.   TETRAHEDRON LETTERS

Frustrated Lewis pair chemistry of carbon, nitrogen and sulfur oxides

(2014) Douglas W. Stephan et al.   Chemical Science

Facile Carbon Monoxide Reduction at Intramolecular Frustrated Phosphane/Borane Lewis Pair Templates

(2013) Muhammad Sajid et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Mechanism of the Formation of Carboxylate from Alcohols and Water Catalyzed by a Bipyridine-Based Ruthenium Complex: A Computational Study

(2013) Haixia Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Chiral Dienes as “Ligands” for Borane-Catalyzed Metal-Free Asymmetric Hydrogenation of Imines

(2013) Yongbing Liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Reactivity Models of Hydrogen Activation by Frustrated Lewis Pairs: Synergistic Electron Transfers or Polarization by Electric Field?

(2013) Tibor András Rokob et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Assessing the performance of commonly used DFT functionals in studying the chemistry of frustrated Lewis pairs

(2013) Fang Huang et al.   JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY

A frustrated-Lewis-pair approach to catalytic reduction of alkynes to cis-alkenes

(2013) Konstantin Chernichenko et al.   Nature Chemistry

Applications of Acceptorless Dehydrogenation and Related Transformations in Chemical Synthesis

(2013) C. Gunanathan et al.   SCIENCE

Gold catalyzed hydrogenations of small imines and nitriles: enhanced reactivity of Au surface toward H2via collaboration with a Lewis base

(2013) Gang Lu et al.   Chemical Science

Phosphorus as a Lewis Acid: CO2Sequestration with Amidophosphoranes

(2012) Lindsay J. Hounjet et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Reactivity of a Frustrated Lewis Pair and Small-Molecule Activation by an Isolable Arduengo CarbeneB{3,5-(CF3)2C6H3}3Complex

(2012) Eugene L. Kolychev et al.   CHEMISTRY-A EUROPEAN JOURNAL

Catalytic metal-free intramolecular hydroaminations of non-activated aminoalkenes: A computational exploration

(2012) Haixia Li et al.   DALTON TRANSACTIONS

Fixation of carbon dioxide and related small molecules by a bifunctional frustrated pyrazolylborane Lewis pair

(2012) Eileen Theuergarten et al.   DALTON TRANSACTIONS

Analysis of the Activation and Heterolytic Dissociation of H2 by Frustrated Lewis Pairs: NH3/BX3 (X = H, F, and Cl)

(2012) Donald M. Camaioni et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Experimental and quantum chemical characterization of the water oxidation cycle catalysed by [RuII(damp)(bpy)(H2O)]2+

(2012) Laura Vigara et al.   Chemical Science

Heterolytic Cleavage of Dihydrogen by “Frustrated Lewis Pairs” Comprising Bis(2,4,6-tris(trifluoromethyl)phenyl)borane and Amines: Stepwise versus Concerted Mechanism

(2011) Zhenpin Lu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Designing Metal-Free Catalysts by Mimicking Transition-Metal Pincer Templates

(2011) Gang Lu et al.   CHEMISTRY-A EUROPEAN JOURNAL

Metal-free catalysts for hydrogenation of both small and large imines: a computational experiment

(2011) Lili Zhao et al.   DALTON TRANSACTIONS

Density Functional Theory for Reaction Energies: Test of Meta and Hybrid Meta Functionals, Range-Separated Functionals, and Other High-Performance Functionals

(2011) Yan Zhao et al.   Journal of Chemical Theory and Computation

Alane-Based Classical and Frustrated Lewis Pairs in Polymer Synthesis: Rapid Polymerization of MMA and Naturally Renewable Methylene Butyrolactones into High-Molecular-Weight Polymers

(2010) Yuetao Zhang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Expanding the Scope of Metal-Free Catalytic Hydrogenation through Frustrated Lewis Pair Design

(2010) Gábor Erős et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Enantioselective Hydrogenation with Chiral Frustrated Lewis Pairs

(2010) Dianjun Chen et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The Mechanism of Dihydrogen Activation by Frustrated Lewis Pairs Revisited

(2010) Stefan Grimme et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Intramolecular heterolytic dihydrogen cleavage by a bifunctional frustrated pyrazolylborane Lewis pair

(2010) Eileen Theuergarten et al.   CHEMICAL COMMUNICATIONS

Encumbering the intramolecular π donation by using a bridge: A strategy for designing metal-free compounds to hydrogen activation

(2010) ZhiXiang Wang et al.   CHINESE SCIENCE BULLETIN

Computational design of metal-free catalysts for catalytic hydrogenation of imines

(2010) Lili Zhao et al.   DALTON TRANSACTIONS

Catalytic metal-free ketone hydrogenation: a computational experiment

(2010) Haixia Li et al.   DALTON TRANSACTIONS

Reversible Heterolytic Methane Activation of Metal-Free Closed-Shell Molecules: A Computational Proof-of-Principle Study

(2010) Gang Lu et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

Insight into the relative reactivity of “Frustrated Lewis pairs” and stable carbenes in activating H2 and CH4: A comparative computational study

(2010) Haixia Li et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Frustrated Lewis Pairs: Metal-free Hydrogen Activation and More

(2009) Douglas W. Stephan et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Frustrated Lewis pairs: a new strategy to small molecule activation and hydrogenation catalysis

(2009) Douglas W. Stephan   DALTON TRANSACTIONS

Computationally Designed Metal-Free Hydrogen Activation Site: Reaching the Reactivity of Metal−Ligand Bifunctional Hydrogenation Catalysts

(2009) Gang Lu et al.   INORGANIC CHEMISTRY

Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

(2009) Aleksandr V. Marenich et al.   JOURNAL OF PHYSICAL CHEMISTRY B

On the Mechanism of B(C6F5)3-Catalyzed Direct Hydrogenation of Imines: Inherent and Thermally Induced Frustration

(2009) Tibor András Rokob et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Rationalizing the Reactivity of Frustrated Lewis Pairs: Thermodynamics of H2Activation and the Role of Acid−Base Properties

(2009) Tibor András Rokob et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Density Functionals with Broad Applicability in Chemistry

(2008) Yan Zhao et al.   ACCOUNTS OF CHEMICAL RESEARCH

Turning Frustration into Bond Activation: A Theoretical Mechanistic Study on Heterolytic Hydrogen Splitting by Frustrated Lewis Pairs

(2008) Tibor András Rokob et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Heterolytic Dihydrogen Activation by a Frustrated Carbene-Borane Lewis Pair

(2008) Dirk Holschumacher et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Metal-Free Catalytic Hydrogenation of Enamines, Imines, and Conjugated Phosphinoalkenylboranes

(2008) Patrick Spies et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Heterolytic dihydrogen activation with the 1,8-bis(diphenylphosphino)naphthalene/B(C6F5)3 pair and its application for metal-free catalytic hydrogenation of silyl enol ethers

(2008) Huadong Wang et al.   CHEMICAL COMMUNICATIONS

Metal-free catalytic hydrogenation of imines with tris(perfluorophenyl)borane

(2008) Dianjun Chen et al.   CHEMICAL COMMUNICATIONS

Unusual Concerted Lewis Acid−Lewis Base Mechanism for Hydrogen Activation by a Phosphine−Borane Compound

(2008) Yong Guo et al.   INORGANIC CHEMISTRY

Performance of the M06 family of exchange-correlation functionals for predicting magnetic coupling in organic and inorganic molecules

(2008) Rosendo Valero et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular Tweezers for Hydrogen: Synthesis, Characterization, and Reactivity

(2008) Victor Sumerin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY