Ruthenium(II)-Catalyzed Hydrogenation of Carbon Dioxide to Formic Acid. Theoretical Study of Real Catalyst, Ligand Effects, and Solvation Effects

2005 ◽  
Vol 127 (11) ◽  
pp. 4021-4032 ◽  
Author(s):  
Yu-ya Ohnishi ◽  
Tadashi Matsunaga ◽  
Yoshihide Nakao ◽  
Hirofumi Sato ◽  
Shigeyoshi Sakaki
Keyword(s):  
Carbon Dioxide ◽  
Formic Acid ◽  
Theoretical Study ◽  
Solvation Effects ◽  
Ligand Effects ◽  
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.

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