DFT study of alkene hydrogenation catalyzed by Rh(acac)(CO)2

Journal of Organometallic Chemistry

Volumn 695, Issue 10-11, 2010, Pages 1576-1582

  Yuan, Xiangai ^a   Bi, Siwei ^a   Ding, Yangjun ^a   Liu, Lingjun ^a   Sun, Min ^a  

^a QUFU NORMAL UNIVERSITY   (China)

Author keywords

Alkene; Density functional calculation; Hydrogenation

Indexed keywords

CARBONYLATION; DENSITY FUNCTIONAL THEORY; ETHANE; ETHYLENE; HYDROGENATION;

ALKENE; ALKENE HYDROGENATION; APICAL POSITIONS; DENSITY-FUNCTIONAL CALCULATIONS; DFT STUDY; DISSOCIATIVE MECHANISMS; ETHYL GROUPS; OXIDATIVE ADDITIONS; PYRAMIDAL STRUCTURES; RATE DETERMINING STEP; REDUCTIVE ELIMINATION; SUBSTITUTION STEP; [CARBONYL;

RHODIUM;

EID: 84962467955     PISSN: 0022328X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jorganchem.2010.03.015     Document Type: Article

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