Theoretical Study of Ruthenium-Catalyzed Hydrogenation of Carbon Dioxide into Formic Acid. Reaction Mechanism Involving a New Type of σ-Bond Metathesis

2000 ◽  
Vol 122 (16) ◽  
pp. 3867-3877 ◽  
Author(s):  
Yasuo Musashi ◽  
Shigeyoshi Sakaki
Keyword(s):  
Carbon Dioxide ◽  
Reaction Mechanism ◽  
Formic Acid ◽  
Theoretical Study ◽  
New Type ◽  
Acid Reaction ◽  
Hydrogenation Of Carbon Dioxide

Theoretical study of CO2 hydrogenation into formic acid on Lewis acid zeolites

2018 ◽  
Vol 20 (39) ◽  
pp. 25179-25185 ◽  
Author(s):  
Worawaran Thongnuam ◽  
Thana Maihom ◽  
Saowapak Choomwattana ◽  
Yuwanda Injongkol ◽  
Bundet Boekfa ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Density Functional Theory ◽  
Formic Acid ◽  
Density Functional ◽  
Theoretical Study ◽  
Co2 Hydrogenation ◽  
Functional Theory ◽  
Acid Zeolites ◽  
Acidic Zeolites ◽  
Hydrogenation Of Carbon Dioxide

The hydrogenation of carbon dioxide (CO2) to formic acid over Lewis acidic zeolites as catalyst has been investigated by means of density functional theory (DFT) with the M06-L functional.

Theoretical Study of the Ammonia−Hypochlorous Acid Reaction Mechanism

2010 ◽  
Vol 114 (7) ◽  
pp. 2597-2606 ◽  
Author(s):  
Mark S. Rayson ◽  
Mohammednoor Altarawneh ◽  
John C. Mackie ◽  
Eric M. Kennedy ◽  
Bogdan Z. Dlugogorski
Keyword(s):  
Reaction Mechanism ◽  
Hypochlorous Acid ◽  
Theoretical Study ◽  
Acid Reaction
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