Density functional study on highly ortho-selective addition of an aromatic CH bond to olefins catalyzed by a Ru(H)2(CO)(PR3)3 complex

Organometallics

Volumn 19, Issue 12, 2000, Pages 2318-2329

  Matsubara, Toshiaki ^a,b,c   Koga, Nobuaki ^b   Musaev, Djamaladdin G ^c   Morokuma, Keiji ^c  

^a INSTITUTE FOR FUNDAMENTAL CHEMISTRY   (Japan)

^b NAGOYA UNIVERSITY   (Japan)

^c EMORY UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; ADDITION REACTIONS; CATALYSIS; CHEMICAL BONDS; COMPUTER SIMULATION; ETHYLENE; ORGANOMETALLICS; PERTURBATION TECHNIQUES; REACTION KINETICS; RUTHENIUM;

BENZALDEHYDE; DENSITY FUNCTIONAL THEORY; HIGH ORTHO SELECTIVITY; SOFTWARE PACKAGE GAUSSIAN 94;

AROMATIC COMPOUNDS;

EID: 0033703742     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om0001220     Document Type: Article

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