A computational study of ethylene C-H bond activation by [Cp*Ir(PR3)]

Chemistry - A European Journal

Volumn 7, Issue 8, 2001, Pages 1679-1690

  Smith, Kevin M ^a   Poli, Rinaldo ^a   Harvey, Jeremy N ^b  

^a UNIVERSITÉ DE BOURGOGNE   (France)

^b UNIVERSITY OF BRISTOL   (United Kingdom)

Author keywords

Ab initio calculations; C H activation; Iridium; Reaction mechanisms; Spin crossover

Indexed keywords

ACTIVATION ANALYSIS; CHEMICAL BONDS; HIGH TEMPERATURE EFFECTS; HYDRIDES; ISOTOPES; MOLECULAR DYNAMICS;

DENSITY FUNCTIONAL THEORY;

ETHYLENE;

ETHYLENE; IRIDIUM COMPLEX;

ARTICLE; MOLECULAR DYNAMICS; REACTION ANALYSIS; STEREOCHEMISTRY;

EID: 0035901686     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/1521-3765(20010417)7:8<1679::AID-CHEM16790>3.0.CO;2-5     Document Type: Article

References (3)

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2. a) B. A. Arndsten, R. G. Bergman, T. A. Mobley, T. H. Peterson, Acc. Chem. Res. 1995, 28, 154-162;
3. b)A. E. Shilov, G. B. Shul'pin, Chem. Rev. 1997, 97, 2879-2932.