Benyzl Alcohol Dehydrogenative Coupling Catalyzed by Defined Mn and Re PNP Pincer Complexes - A Computational Mechanistic Study

Catalytic (de)hydrogenation promoted by non-precious metals – Co, Fe and Mn: recent advances in an emerging field

(2018) Georgy A. Filonenko et al.   CHEMICAL SOCIETY REVIEWS

Deeper Mechanistic Insight into Ru Pincer-Mediated Acceptorless Dehydrogenative Coupling of Alcohols: Exchanges, Intermediates, and Deactivation Species

(2018) Duc Hanh Nguyen et al.   ACS Catalysis

Homogeneous Catalysis by Manganese-Based Pincer Complexes

(2017) Marcel Garbe et al.   EUROPEAN JOURNAL OF ORGANIC CHEMISTRY

Manganese-Catalyzed Upgrading of Ethanol into 1-Butanol

(2017) Shaomin Fu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Reversible 1,2-Addition of Water To Form a Nucleophilic Mn(I) Hydroxide Complex: A Thermodynamic and Reactivity Study

(2017) Aaron M. Tondreau et al.   ORGANOMETALLICS

Metal–Ligand Bifunctional Catalysis: The “Accepted” Mechanism, the Issue of Concertedness, and the Function of the Ligand in Catalytic Cycles Involving Hydrogen Atoms

(2017) Pavel A. Dub et al.   ACS Catalysis

Manganese Pincer Complexes for the Base-Free, Acceptorless Dehydrogenative Coupling of Alcohols to Esters: Development, Scope, and Understanding

(2017) Duc Hanh Nguyen et al.   ACS Catalysis

Hydrogenation of phenyl-substituted CN, CN,CC, CC and CO functional groups by Cr, Mo and W PNP pincer complexes – a DFT study

(2017) Zhihong Wei et al.   Catalysis Science & Technology

Hydrogenation of Esters to Alcohols Catalyzed by Defined Manganese Pincer Complexes

(2016) Saravanakumar Elangovan et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A Stable Manganese Pincer Catalyst for the Selective Dehydrogenation of Methanol

(2016) María Andérez-Fernández et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Unravelling the Mechanism of Basic Aqueous Methanol Dehydrogenation Catalyzed by Ru–PNP Pincer Complexes

(2016) Elisabetta Alberico et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

1,2-Addition of Formic or Oxalic Acid to –N{CH2CH2(PiPr2)}2-Supported Mn(I) Dicarbonyl Complexes and the Manganese-Mediated Decomposition of Formic Acid

(2016) Aaron M. Tondreau et al.   ORGANOMETALLICS

ESI-MS Insights into Acceptorless Dehydrogenative Coupling of Alcohols

(2016) Cristian Vicent et al.   ACS Catalysis

Iron(II) Pincer-Catalyzed Synthesis of Lactones and Lactams through a Versatile Dehydrogenative Domino Sequence

(2015) Miguel Peña-López et al.   ChemCatChem

The Nature of Hydrogen Production from Aqueous-Phase Methanol Dehydrogenation with Ruthenium Pincer Complexes Under Mild Conditions

(2015) Ming Lei et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

A comparative computationally study about the defined m(II) pincer hydrogenation catalysts (m = fe, ru, os)

(2015) Haijun Jiao et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Chemoselective Hydrogenation of Carbonyl Compounds and Acceptorless Dehydrogenative Coupling of Alcohols

(2015) Denis Spasyuk et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Base-Free Methanol Dehydrogenation Using a Pincer-Supported Iron Compound and Lewis Acid Co-catalyst

(2015) Elizabeth A. Bielinski et al.   ACS Catalysis

Catalytic Mechanisms of Direct Pyrrole Synthesis via Dehydrogenative Coupling Mediated by PNP-Ir or PNN-Ru Pincer Complexes: Crucial Role of Proton-Transfer Shuttles in the PNP-Ir System

(2014) Shuanglin Qu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Well-Defined Iron Catalysts for the Acceptorless Reversible Dehydrogenation-Hydrogenation of Alcohols and Ketones

(2014) Sumit Chakraborty et al.   ACS Catalysis

Replacing Phosphorus with Sulfur for the Efficient Hydrogenation of Esters

(2013) Denis Spasyuk et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Natural triple excitations in local coupled cluster calculations with pair natural orbitals

(2013) Christoph Riplinger et al.   JOURNAL OF CHEMICAL PHYSICS

An efficient and near linear scaling pair natural orbital based local coupled cluster method

(2013) Christoph Riplinger et al.   JOURNAL OF CHEMICAL PHYSICS

Understanding the Mechanisms of Cobalt-Catalyzed Hydrogenation and Dehydrogenation Reactions

(2013) Guoqi Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Applications of Acceptorless Dehydrogenation and Related Transformations in Chemical Synthesis

(2013) C. Gunanathan et al.   SCIENCE

Towards a Green Process for Bulk-Scale Synthesis of Ethyl Acetate: Efficient Acceptorless Dehydrogenation of Ethanol

(2012) Martin Nielsen et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Acceptorless Dehydrogenative Coupling of Ethanol and Hydrogenation of Esters and Imines

(2012) Denis Spasyuk et al.   ORGANOMETALLICS

PNS-Type Ruthenium Pincer Complexes

(2012) Moti Gargir et al.   ORGANOMETALLICS

Efficient Hydrogen Production from Alcohols under Mild Reaction Conditions

(2011) Martin Nielsen et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

PNP pincer osmium polyhydrides for catalytic dehydrogenation of primary alcohols

(2011) Marcello Bertoli et al.   DALTON TRANSACTIONS

Osmium and Ruthenium Catalysts for Dehydrogenation of Alcohols

(2011) Marcello Bertoli et al.   ORGANOMETALLICS

Computational Study on the Catalytic Role of Pincer Ruthenium(II)-PNN Complex in Directly Synthesizing Amide from Alcohol and Amine: The Origin of Selectivity of Amide over Ester and Imine

(2011) Haixia Li et al.   ORGANOMETALLICS

How to Conceptualize Catalytic Cycles? The Energetic Span Model

(2010) Sebastian Kozuch et al.   ACCOUNTS OF CHEMICAL RESEARCH

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