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

Exploring the Reactivity of Carbon(0)/Borane-Based Frustrated Lewis Pairs

(2010) Manuel Alcarazo 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

Direct Synthesis of Imines from Alcohols and Amines with Liberation of H2

(2010) Boopathy Gnanaprakasam 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

Assessing the Performance of Popular Quantum Mechanics and Molecular Mechanics Methods and Revealing the Sequence-Dependent Energetic Features Using 100 Tetrapeptide Models

(2010) Jinliang Jiang et al.   Journal of Chemical Theory and Computation

N−H Activation of Amines and Ammonia by Ru via Metal−Ligand Cooperation

(2010) Eugene Khaskin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Catalytic Role of N-Heterocyclic Carbene in a Metal-Free Conversion of Carbon Dioxide into Methanol: A Computational Mechanism Study

(2010) Fang Huang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Dihydrogen Activation by Antiaromatic Pentaarylboroles

(2010) Cheng Fan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Main-group elements as transition metals

(2010) Philip P. Power   NATURE

The activation strain model of chemical reactivity

(2010) Willem-Jan van Zeist et al.   ORGANIC & BIOMOLECULAR 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

Discovery of Environmentally Benign Catalytic Reactions of Alcohols Catalyzed by Pyridine-Based Pincer Ru Complexes, Based on Metal–Ligand Cooperation

(2010) David Milstein   TOPICS IN CATALYSIS

Neutral Tridentate PNP Ligands and Their Hybrid Analogues: Versatile Non-Innocent Scaffolds for Homogeneous Catalysis

(2009) Jarl Ivar van der Vlugt et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Addition of Hydrogen or Ammonia to a Low-Valent Group 13 Metal Species at 25 °C and 1 Atmosphere

(2009) Zhongliang Zhu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Frustrated Lewis Pairs: Metal-free Hydrogen Activation and More

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

Ruthenium Complexes with Cooperative PNP Ligands: Bifunctional Catalysts for the Dehydrogenation of Ammonia-Borane

(2009) Martina Käß et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Metal-free hydrogen activation and hydrogenation of imines by 1,8-bis(dipentafluorophenylboryl)naphthalene

(2009) Chunfang Jiang et al.   CHEMICAL COMMUNICATIONS

Insertion into dihydrogen employing the nitrogen centre of a borylnitrene

(2009) Holger F. Bettinger et al.   CHEMICAL COMMUNICATIONS

Dispersion-Oriented Soft Interaction in a Frustrated Lewis Pair and the Entropic Encouragement Effect in its Formation

(2009) Hyun Woo Kim et al.   CHEMISTRY-A EUROPEAN JOURNAL

On the Possibility of Conversion of Alcohols to Ketones and Aldehydes by Phosphinoboranes R2PBR′R′′: A Computational Study

(2009) Timofei Privalov   CHEMISTRY-A EUROPEAN JOURNAL

On the Origin of Reversible Hydrogen Activation by Phosphine–Boranes

(2009) Ramanan Rajeev et al.   CHEMISTRY-A EUROPEAN JOURNAL

Hydrogenation of imines by phosphonium borate zwitterions: a theoretical study

(2009) Timofei Privalov   DALTON TRANSACTIONS

On the possibility of catalytic reduction of carbonyl moieties with tris(pentafluorophenyl)borane and H2: a computational study

(2009) Jonas Nyhlén et al.   DALTON TRANSACTIONS

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

(2009) Douglas W. Stephan   DALTON TRANSACTIONS

Metal–ligand cooperation in the trans addition of dihydrogen to a pincer Ir(i) complex: a DFT study

(2009) Mark A. Iron et al.   DALTON TRANSACTIONS

Dehydrogenation reactivity of a frustrated carbene–borane Lewis pair

(2009) Dirk Holschumacher et al.   DALTON TRANSACTIONS

“Frustration” of Orbital Interactions in Lewis Base/Lewis Acid Adducts: A Computational Study of H2Uptake by Phosphanylboranes R2P=BR′2

(2009) Jonas Nyhlén et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

The Role of Amine-B(C6F5)3Adducts in the Catalytic Reduction of Imines with H2: A Computational Study

(2009) Timofei Privalov   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

The crystal structure of C176A mutated [Fe]-hydrogenase suggests an acyl-iron ligation in the active site iron complex

(2009) Takeshi Hiromoto et al.   FEBS LETTERS

H2Activation by a (PNP)Ir(C6H5) Complex via the Dearomatization/Aromatization Process of the PNP Ligand: A Computational Study

(2009) Guixiang Zeng et al.   INORGANIC CHEMISTRY

Cleavage of a N−H Bond of Ammonia at Room Temperature by a Germylene

(2009) Anukul Jana et al.   INORGANIC CHEMISTRY

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

(2009) Gang Lu et al.   INORGANIC CHEMISTRY

Mechanism of hydrogen activation by frustrated Lewis pairs: A molecular orbital approach

(2009) Andrea Hamza et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Experimental and theoretical treatment of hydrogen splitting and storage in boron–nitrogen systems

(2009) Victor Sumerin et al.   JOURNAL OF ORGANOMETALLIC CHEMISTRY

Metal−Ligand Cooperation in H2Production and H2O Decomposition on a Ru(II) PNN Complex: The Role of Ligand Dearomatization−Aromatization

(2009) Jun Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Highly Stereoselective Proton/Hydride Exchange: Assistance of Hydrogen Bonding for the Heterolytic Splitting of H2

(2009) Anja Friedrich et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Oxidative Addition of Ammonia at a Silicon(II) Center and an Unprecedented Hydrogenation Reaction of Compounds with Low-Valent Group 14 Elements Using Ammonia Borane

(2009) Anukul Jana et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Kinetic Hydrogen/Deuterium Effects in the Direct Hydrogenation of Ketones Catalyzed by a Well-Defined Ruthenium Diphosphine Diamine Complex

(2009) Marco Zimmer-De Iuliis et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Reaction of Hydrogen or Ammonia with Unsaturated Germanium or Tin Molecules under Ambient Conditions: Oxidative Addition versus Arene Elimination

(2009) Yang Peng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Catalytic Hydrogenation of Sensitive Organometallic Compounds by Antagonistic N/B Lewis Pair Catalyst Systems

(2009) Kirill V. Axenov et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

Reactions of an Intramolecular Frustrated Lewis Pair with Unsaturated Substrates: Evidence for a Concerted Olefin Addition Reaction

(2009) Cornelia M. Mömming et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Monoiron Hydrogenase Catalysis: Hydrogen Activation with the Formation of a Dihydrogen, Fe−Hδ−···Hδ+−O, Bond and Methenyl-H4MPT+Triggered Hydride Transfer

(2009) Xinzheng Yang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mechanism of Water Splitting and Oxygen−Oxygen Bond Formation by a Mononuclear Ruthenium Complex

(2009) Xinzheng Yang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Synthesis and Reactivity of Iron Acyl Complexes Modeling the Active Site of [Fe]-Hydrogenase

(2009) Dafa Chen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Functional Group Chemistry at the Group 4 Bent Metallocene Frameworks: Formation and “Metal-Free” Catalytic Hydrogenation of Bis(imino-Cp)zirconium Complexes

(2009) Kirill V. Axenov et al.   ORGANOMETALLICS

Metal-Free Hydrogen Activation by the Frustrated Lewis Pairs of ClB(C6F5)2and HB(C6F5)2and Bulky Lewis Bases

(2009) Chunfang Jiang et al.   ORGANOMETALLICS

Consecutive Thermal H2and Light-Induced O2Evolution from Water Promoted by a Metal Complex

(2009) Stephan W. Kohl et al.   SCIENCE

Density Functionals with Broad Applicability in Chemistry

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

Cover Picture: Facile Heterolytic H2Activation by Amines and B(C6F5)3(Angew. Chem. Int. Ed. 32/2008)

(2008) Victor Sumerin et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

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

Concerted attack of frustrated Lewis acid–base pairs on olefinic double bonds: a theoretical study

(2008) András Stirling et al.   CHEMICAL COMMUNICATIONS

Addition of H2 to distannynes under ambient conditions

(2008) Yang Peng et al.   CHEMICAL COMMUNICATIONS

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

Oxidative addition of water to transition metal complexes

(2008) Oleg V. Ozerov   CHEMICAL SOCIETY REVIEWS

A Novel Addition Mechanism for the Reaction of “Frustrated Lewis Pairs” with Olefins

(2008) Yong Guo et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

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

(2008) Yong Guo et al.   INORGANIC CHEMISTRY

Diarylstannylene Activation of Hydrogen or Ammonia with Arene Elimination

(2008) Yang Peng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Theory of 1,3-Dipolar Cycloadditions: Distortion/Interaction and Frontier Molecular Orbital Models

(2008) Daniel H. Ess et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Molecular Tweezers for Hydrogen: Synthesis, Characterization, and Reactivity

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

Activation of H2by Phosphinoboranes R2PB(C6F5)2

(2008) Stephen J. Geier et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

“Frustrated Lewis pairs”: a concept for new reactivity and catalysis

(2008) Douglas W. Stephan   ORGANIC & BIOMOLECULAR CHEMISTRY

The Crystal Structure of [Fe]-Hydrogenase Reveals the Geometry of the Active Site

(2008) S. Shima et al.   SCIENCE

Heterolytic H2 Activation by Nonmetals

(2007) Alyson L. Kenward et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION