DFT study of group 8 catalysts for the hydrophenylation of ethylene: Influence of ancillary ligands and metal identity

Journal of Organometallic Chemistry

Volumn 697, Issue 1, 2011, Pages 15-22

  Morello, Glenn R ^a   Cundari, Thomas R ^a   Gunnoe, T Brent ^b  

^a UNIVERSITY OF NORTH TEXAS   (United States)

^b UNIVERSITY OF VIRGINIA   (United States)

Author keywords

Catalysis; Computational chemistry; DFT; Hydroarylation; Scorpionate

Indexed keywords

ANCILLARY LIGANDS; C-H ACTIVATION; DFT; DFT CALCULATION; DFT STUDY; HYDROARYLATION; HYDROPHENYLATION; METAL CENTERS; PYRAZOLYL; SCORPIONATE; SCORPIONATE LIGAND; TRIS(PYRAZOLYL) METHANE;

ACTIVATION ANALYSIS; BENZENE; BENZENE REFINING; CATALYSIS; CATALYSTS; COMPUTATIONAL CHEMISTRY; DENSITY FUNCTIONAL THEORY; ETHYLBENZENE; LIGANDS; METHANE; OSMIUM; QUANTUM CHEMISTRY;

ETHYLENE;

EID: 81755174131     PISSN: 0022328X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jorganchem.2011.09.019     Document Type: Article

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