Ruthenium(II)-catalyzed hydrogenation of carbon dioxide to formic acid. Theoretical study of real catalyst, ligand effects, and solvation effects

Journal of the American Chemical Society

Volumn 127, Issue 11, 2005, Pages 4021-4032

  Ohnishi, Yu Ya ^a   Matsunaga, Tadashi ^a   Nakao, Yoshihide ^a   Sato, Hirofumi ^a   Sakaki, Shigeyoshi ^a  

^a KYOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON DIOXIDE; CATALYSTS; DESIGN FOR TESTABILITY; HYDROGEN; HYDROGENATION; MATHEMATICAL MODELS; ORGANIC ACIDS; PROMETHIUM;

DIHYDROGEN MOLECULES; FORMIC ACID; METATHESIS; RUTHENIUM CATALYZED HYDROGENATION;

RUTHENIUM;

CARBON DIOXIDE; FORMIC ACID; HEPTANE; LIGAND; RUTHENIUM;

ARTICLE; CALCULATION; CATALYSIS; CATALYST; CHEMICAL REACTION; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; GAS; HYDROGEN BOND; HYDROGENATION; ISOMERIZATION; MATHEMATICAL MODEL; RING CLOSING METATHESIS; SOLVATION; SOLVENT EFFECT;

EID: 84962419385     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja043697n     Document Type: Article

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