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Theoretical Study of Rhodium(III)-Catalyzed Hydrogenation of Carbon Dioxide into Formic Acid. Significant Differences in Reactivity among Rhodium(III), Rhodium(I), and Ruthenium(II) Complexes

https://doi.org/10.1021/ja020063c

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What this work says

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inferred← citeshttps://doi.org/10.1039/c1cs15008aopenalex-snapshot

Recent advances in catalytic hydrogenation of carbon dioxide

inferred← citeshttps://doi.org/10.1039/c2cc34542kopenalex-snapshot

Theoretical studies of reactions of carbon dioxide mediated and catalysed by transition metal complexes

inferred← citeshttps://doi.org/10.1039/c2sc20350bopenalex-snapshot

Catalytic intermolecular hydroacylation of C–C π-bonds in the absence of chelation assistance

inferred← citeshttps://doi.org/10.1039/c4cc04962dopenalex-snapshot

The crucial roles of MgCl 2 as a non-innocent additive in the Ni-catalyzed carboxylation of benzyl halide with CO 2

inferred← citeshttps://doi.org/10.1039/c4dt00294fopenalex-snapshot

A DFT study of ruthenium pincer carboxylate complexes as potential catalysts for the direct carboxylation of arenes with CO 2 – meridional versus facial coordination

inferred← citeshttps://doi.org/10.1039/c4ra08740bopenalex-snapshot

An integrated process of CO 2 capture and in situ hydrogenation to formate using a tunable ethoxyl-functionalized amidine and Rh/bisphosphine system

inferred← citeshttps://doi.org/10.1039/c5cp07256eopenalex-snapshot

Insight into the electronic effect of phosphine ligand on Rh catalyzed CO 2 hydrogenation by investigating the reaction mechanism

inferred← citeshttps://doi.org/10.1039/c5nj01740hopenalex-snapshot

Mechanistic studies on the pH-controllable interconversion between hydrogen and formic acid in water: DFT insights

inferred← citeshttps://doi.org/10.1039/c6dt02897gopenalex-snapshot

A comparative study on the CO 2 hydrogenation catalyzed by Ru dihydride complexes: (PMe 3 ) 4 RuH 2 and (Me 2 PCH 2 CH 2 PMe 2 ) 2 RuH 2

inferred← citeshttps://doi.org/10.1039/c9cc00916gopenalex-snapshot

Light-driven catalytic hydrogenation of carbon dioxide at low-pressure by a trinuclear iridium polyhydride complex

inferred← citeshttps://doi.org/10.1039/d0cy02064hopenalex-snapshot

Unraveling the catalytically preferential pathway between the direct and indirect hydrogenation of CO 2 to CH 3 OH using N-heterocyclic carbene-based Mn (i) catalysts: a theoretical approach

inferred← citeshttps://doi.org/10.1039/d4cy00516copenalex-snapshot

Penta- versus hexa-coordinated iridium catalysts control the reactivity of the direct reductive amination between aliphatic amines and aliphatic ketones: a DFT-guided mechanism

inferred← citeshttps://doi.org/10.1134/s0965544112020041openalex-snapshot

Glycerol carboxylation to glycerol carbonate in the presence of rhodium complexes with phosphine ligands

inferred← citeshttps://doi.org/10.1142/s0219633613300012openalex-snapshot

FORMIC ACID DEHYDROGENATION ON SURFACES — A REVIEW OF COMPUTATIONAL ASPECT

inferred← citeshttps://doi.org/10.1246/bcsj.20110128openalex-snapshot

Catalytic Hydrogenation of Carbon Dioxide with a Highly Active Hydride on Ir(III)–Pincer Complex: Mechanism for CO2 Insertion and Nature of Metal–Hydride Bond

inferred← citeshttps://doi.org/10.1246/bcsj.20150119openalex-snapshot

Theoretical and Computational Study of a Complex System Consisting of Transition Metal Element(s): How to Understand and Predict Its Geometry, Bonding Nature, Molecular Property, and Reaction Behavior

inferred← citeshttps://doi.org/10.12794/metadc283790openalex-snapshot

Transition Metal Mediated C-o Bond Cleavage: From Co2 Activation to Lignin Degradation

inferred← citeshttps://doi.org/10.1351/pac-con-11-10-18openalex-snapshot

Formation of C–C bonds via ruthenium-catalyzed transfer hydrogenation

inferred← citeshttps://doi.org/10.1360/n032017-00196openalex-snapshot

Application of single-atom catalysts in carbon dioxide reduction

inferred← citeshttps://doi.org/10.1360/n972014-01252openalex-snapshot

In situ catalytic hydrogenation of carbon dioxide

inferred← citeshttps://doi.org/10.1515/pesd-2016-0022openalex-snapshot

Carbon Sequestration: Hydrogenation of CO2 to Formic Acid

inferred← citeshttps://doi.org/10.1515/psr-2017-0038openalex-snapshot

Homogeneously catalyzed hydrogenation and dehydrogenation reactions – From a mechanistic point of view

inferred← citeshttps://doi.org/10.2751/jcac.6.30openalex-snapshot

An Attempt Judging Possibility of Synthesis Routes from the TOSP Program Using DFT Calculations.

inferred← citeshttps://doi.org/10.2751/jcac.8.12openalex-snapshot

An Attempt Method for Developing New Synthetic Routes by Fusing Computational Chemistry and Chemoinformatics:

inferred← citeshttps://doi.org/10.3390/catal12070760openalex-snapshot

Substituent’s Effects of PNP Ligands in Ru(II)-Catalyzed CO2 Hydrogenation to Formate: Theoretical Analysis Considering Steric Hindrance and Promotion of Hydrogen Bonding

inferred← citeshttps://doi.org/10.3390/catal14070440openalex-snapshot

Theoretical Study of Reversible Hydrogenation of CO2 to Formate Catalyzed by Ru(II)–PN5P, Fe(II)–PN5P, and Mn(I)–PN5P Complexes: The Effect of the Transition Metal Center

inferred← citeshttps://doi.org/10.3390/molecules15118289openalex-snapshot

Towards the Development of Synthetic Routes Using Theoretical Calculations: An Application of In Silico Screening to 2,6-Dimethylchroman-4-one

inferred← citeshttps://doi.org/10.3390/molecules28020694openalex-snapshot

Theoretical Study of the Reaction Mechanism of Phenol–Epoxy Ring-Opening Reaction Using a Latent Hardening Accelerator and a Reactivity Evaluation by Substituents

inferred← citeshttps://doi.org/10.5012/bkcs.2003.24.6.829openalex-snapshot

Theoretical Study of C-H σ-Bond Activation and Related Reactions

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