Cobalt-catalyzed nitrile hydrogenation: Insights into the reaction mechanism and product selectivity from DFT analysis

2019 ◽  
Vol 688 ◽  
pp. 31-44 ◽  
Author(s):  
Gisela Lozano-Blanco ◽  
Andrew J. Adamczyk
Keyword(s):  
Reaction Mechanism ◽  
Product Selectivity

scholarly journals A Short Perspective on Electrochemical CO2 Reduction to CO

2020 ◽  
Vol 74 (6) ◽  
pp. 478-482
Author(s):  
Maxime Tarrago ◽  
Shengfa Ye
Keyword(s):  
Electronic Structure ◽  
Reaction Mechanism ◽  
Catalytic System ◽  
Co2 Reduction ◽  
Short Review ◽  
Product Selectivity ◽  
Electrochemical Co2 Reduction ◽  
Co Reduction

This short review summarizes examples of many homogeneous non-noble catalysts for CO2-to-CO reduction and compares their feasible mechanisms. The focus is to show that elucidating the electronic structure of the catalytic system likely provides better understanding of the reaction mechanism and product selectivity.

scholarly journals Immobilized Grubbs catalysts on mesoporous silica materials: insight into support characteristics and their impact on catalytic activity and product selectivity

2016 ◽  
Vol 6 (8) ◽  
pp. 2580-2597 ◽  
Author(s):  
Annelies Dewaele ◽  
Boris Van Berlo ◽  
Jan Dijkmans ◽  
Pierre A. Jacobs ◽  
Bert F. Sels
Keyword(s):  
Catalytic Activity ◽  
Reaction Mechanism ◽  
Mesoporous Silica ◽  
Product Selectivity ◽  
Grubbs Catalysts ◽  
Silica Materials ◽  
Cyclic Oligomers ◽  
Mesoporous Silica Materials ◽  
Insight Into ◽  
The Ideal

The ideal support characteristics for immobilization of the Hoveyda–Grubbs 2 catalyst were defined in the metathesis of cyclooctene and the reaction mechanism to cyclic oligomers was unraveled.

In situ unraveling of the effect of the dynamic chemical state on selective CO2 reduction upon zinc electrocatalysts

Nanoscale ◽  
2020 ◽  
Vol 12 (35) ◽  
pp. 18013-18021
Author(s):  
Tai-Lung Chen ◽  
Hsiao-Chien Chen ◽  
Yen-Po Huang ◽  
Sheng-Chih Lin ◽  
Cheng-Hung Hou ◽  
...  
Keyword(s):  
Reaction Mechanism ◽  
Co2 Reduction ◽  
Chemical State ◽  
Product Selectivity ◽  
Crucial Step ◽  
Selective Catalyst

Unraveling the reaction mechanism behind CO2RR via a series of in situ measurements is a crucial step for advancing the development of efficient and selective catalyst and relations between product selectivity.

scholarly journals Selective hydrogenation of 1,3-butadiene catalyzed by a single Pd atom anchored on graphene: the importance of dynamics

2018 ◽  
Vol 9 (27) ◽  
pp. 5890-5896 ◽  
Author(s):  
Yingxin Feng ◽  
Linsen Zhou ◽  
Qiang Wan ◽  
Sen Lin ◽  
Hua Guo
Keyword(s):  
Reaction Mechanism ◽  
Selective Hydrogenation ◽  
Active Site ◽  
First Principles ◽  
Single Atom ◽  
Pd Catalyst ◽  
Product Selectivity ◽  
Site Structure ◽  
Active Site Structure

The active-site structure, reaction mechanism, and product selectivity of the industrially important selective hydrogenation of 1,3-butadiene are investigated using first principles for an emerging single-atom Pd catalyst anchored on graphene.

Arylation of enelactams using TIPSOTf: reaction scope and mechanistic insight

2021 ◽  
Author(s):  
Tomasz J. Idzik ◽  
Zofia M. Myk ◽  
Łukasz Struk ◽  
Magdalena Perużyńska ◽  
Gabriela Maciejewska ◽  
...  
Keyword(s):  
Reaction Mechanism ◽  
Multinuclear Nmr ◽  
Mechanistic Insight ◽  
Nmr Study ◽  
Wide Range

Triisopropylsilyltrifluoromethanesulfonate can be effectively used for the arylation of a wide range of enelactams. The multinuclear NMR study provided deep insights into the reaction mechanism.

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