4.5 Article

In Silico Investigation of Ligand-Regulated Palladium-Catalyzed Formic Acid Dehydrative Decomposition under Acidic Conditions

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Chemistry, Multidisciplinary

Reaction Mechanism of Pd-Catalyzed CO-Free Carbonylation Reaction Uncovered by In Situ Spectroscopy: The Formyl Mechanism

Robert Geitner et al.

Summary: In this study, the mechanism of alkoxycarbonylation of alkenes using different surrogate molecules was unraveled using in situ nuclear magnetic resonance (NMR) spectroscopy. It was found that the reaction proceeds through the C-H activation of in situ generated methyl formate instead of carbon monoxide as previously hypothesized. A kinetic model involving all major intermediates was established based on quantitative NMR experiments for knowledge-driven optimization of the reaction. Additionally, a new reaction mechanism was proposed based on in situ observed Pd-hydride, Pd-formyl and Pd-acyl species.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2021)

Review Chemistry, Multidisciplinary

Magic of Alpha: The Chemistry of a Remarkable Bidentate Phosphine, 1,2-Bis(di-tert-butylphosphinomethyl)benzene

Johanna Vondran et al.

Summary: The bidentate phosphine ligand 1,2-DTBPMB is known as one of the best ligands for alkoxycarbonylation reactions, providing high selectivity and catalytic activity at low temperatures.

CHEMICAL REVIEWS (2021)

Review Chemistry, Multidisciplinary

Formic Acid as a Potential On-Board Hydrogen Storage Method: Development of Homogeneous Noble Metal Catalysts for Dehydrogenation Reactions

Jian Guo et al.

Summary: This review discusses the potential of hydrogen as an energy carrier for renewable energy, particularly in on-board hydrogen fuel cells. It also highlights the limitations of mainstream hydrogen storage techniques for vehicle applications, as well as the significant potential of formic acid in hydrogen generation.

CHEMSUSCHEM (2021)

Article Chemistry, Physical

Shermo: A general code for calculating molecular thermochemistry properties

Tian Lu et al.

Summary: This article presents a code named Shermo for calculating various thermochemistry data, which is compatible with mainstream quantum chemistry codes and has many unique advantages. The Shermo program aims to bring great convenience to quantum chemists in their daily research by providing clear output information and support for various functions.

COMPUTATIONAL AND THEORETICAL CHEMISTRY (2021)

Review Chemistry, Organic

State-of-the-art palladium-catalyzed alkoxycarbonylations

Rui Sang et al.

Summary: This article discusses the palladium-catalyzed alkoxycarbonylation reactions and the impact of ligand development on catalytic activity and selectivity, summarizing several classes of ligands developed by the authors in the past decade. The common feature of these ligands is the integrated base function for controlling activity and selectivity.

ORGANIC CHEMISTRY FRONTIERS (2021)

Review Chemistry, Physical

No Making Without Breaking: Nitrogen-Centered Carbonylation Reactions

Zhiping Yin et al.

ACS CATALYSIS (2020)

Article Chemistry, Physical

Dehydrogenation of formic acid over Pd/C catalysts: insight into the cold plasma treatment

Lanbo Di et al.

CATALYSIS SCIENCE & TECHNOLOGY (2020)

Review Chemistry, Multidisciplinary

Carbonylative synthesis of heterocycles involving diverse CO surrogates

Zhengkai Chen et al.

CHEMICAL COMMUNICATIONS (2020)

Review Chemistry, Multidisciplinary

First-Row Transition-Metal-Catalyzed Carbonylative Transformations of Carbon Electrophiles

Jin-Bao Peng et al.

CHEMICAL REVIEWS (2019)

Article Chemistry, Multidisciplinary

Synthesis of Carboxylic Acids by Palladium-Catalyzed Hydroxycarbonylation

Rui Sang et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2019)

Article Chemistry, Medicinal

Creation of Novel Toxic Gas Surrogates and the Development of Safe and Facile Catalytic Reactions

Hideyuki Konishi

CHEMICAL & PHARMACEUTICAL BULLETIN (2018)

Article Chemistry, Multidisciplinary

Recent Advances in Homogeneous Carbonylation Using CO2 as CO Surrogate

Lu Wang et al.

CHINESE JOURNAL OF CHEMISTRY (2018)

Article Chemistry, Multidisciplinary

Palladium-Catalyzed Selective Generation of CO from Formic Acid for Carbonylation of Alkenes

Rui Sang et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2018)

Article Chemistry, Multidisciplinary

Palladium-Catalyzed Carbonylation of sec- and tert-Alcohols

Kaiwu Dong et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2017)

Review Chemistry, Multidisciplinary

The Development and Application of Two-Chamber Reactors and Carbon Monoxide Precursors for Safe Carbonylation Reactions

Stig D. Friis et al.

ACCOUNTS OF CHEMICAL RESEARCH (2016)

Article Chemistry, Multidisciplinary

Palladium-Catalyzed Hydrocarboxylation of Alkynes with Formic Acid

Jing Hou et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2015)

Review Chemistry, Multidisciplinary

Transition-Metal-Catalyzed Carbonylation Reactions of Olefins and Alkynes: A Personal Account

Xiao-Feng Wu et al.

ACCOUNTS OF CHEMICAL RESEARCH (2014)

Review Chemistry, Multidisciplinary

Carbonylations of Alkenes with CO Surrogates

Lipeng Wu et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2014)

Article Chemistry, Multidisciplinary

Palladium-Catalyzed Reductive Carbonylation of Aryl Halides with N-Formylsaccharin as a CO Source

Tsuyoshi Ueda et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2013)

Review Chemistry, Multidisciplinary

Alternative Metals for Homogeneous Catalyzed Hydroformylation Reactions

Jola Pospech et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2013)

Review Chemistry, Multidisciplinary

Synthesis of Heterocycles via Palladium-Catalyzed Carbonylations

Xiao-Feng Wu et al.

CHEMICAL REVIEWS (2013)

Article Chemistry, Organic

Molybdenum Hexacarbonyl Mediated CO Gas-Free Carbonylative Reactions

Luke R. Odell et al.

SYNLETT (2012)

Review Chemistry, Multidisciplinary

How to Conceptualize Catalytic Cycles? The Energetic Span Model

Sebastian Kozuch et al.

ACCOUNTS OF CHEMICAL RESEARCH (2011)

Article Chemistry, Physical

Mechanism of Methanol Synthesis on Cu through CO2 and CO Hydrogenation

L. C. Grabow et al.

ACS CATALYSIS (2011)

Review Chemistry, Multidisciplinary

Palladium-Catalyzed Carbonylation Reactions of Aryl Halides and Related Compounds

Anne Brennfuehrer et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2009)

Review Chemistry, Multidisciplinary

Density functionals with broad applicability in chemistry

Yan Zhao et al.

ACCOUNTS OF CHEMICAL RESEARCH (2008)

Review Chemistry, Multidisciplinary

Evolution of carbonylation catalysis: No need for carbon monoxide

T Morimoto et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2004)

Article Chemistry, Multidisciplinary

Synthesis, X-ray characterisation and reactions of a trigonal planar palladium(0) carbonyl complex, (tbpx) PdCO

RM Bellabarba et al.

CHEMICAL COMMUNICATIONS (2003)