Electrophilic, ambiphilic, and nucleophilic C-H bond activation: Understanding the electronic continuum of C-H bond activation through transition-state and reaction pathway interaction energy decompositions

Organometallics

Volumn 29, Issue 23, 2010, Pages 6459-6472

  Ess, Daniel H ^a   Goddard, William A ^b   Periana, Roy A ^c  

^a Brigham Young University   (United States)

^b California Institute of Technology   (United States)

^c SCRIPPS RESEARCH INSTITUTE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

B3LYP DENSITY FUNCTIONAL; BOND METATHESIS; BONDING PATTERNS; C-H ACTIVATION; C-H BOND; CATIONIC SPECIES; CH-BOND ACTIVATION; CHARGE TRANSFER ENERGY; COORDINATION GEOMETRY; FRONTIER ORBITAL ENERGIES; INTERACTION ENERGIES; LATE TRANSITION METALS; LOCALIZED MOLECULAR ORBITALS; METAL CENTERS; METATHESIS REACTIONS; N-HETEROCYCLES; O-DONOR; ORBITAL ENERGY; ORBITAL STABILIZATION; OXIDATIVE ADDITIONS; PINCER COMPLEXES; PINCER LIGANDS; QUANTITATIVE ANALYSIS; REACTION PATHWAYS; REACTION PROFILE; TRANSITION STATE;

ACTIVATION ANALYSIS; BIOACTIVITY; CHARGE TRANSFER; CHEMICAL BONDS; COMPLEXATION; DECOMPOSITION; DENSITY FUNCTIONAL THEORY; GOLD COMPOUNDS; ION EXCHANGE; IRIDIUM; LIGANDS; METAL HALIDES; METALS; MOLECULAR ORBITALS; PALLADIUM; PALLADIUM COMPOUNDS; PARAFFINS; PHOSPHORUS COMPOUNDS; PLATINUM; PLATINUM COMPOUNDS; RHODIUM; RHODIUM COMPOUNDS; SCANDIUM; SCANDIUM COMPOUNDS; STABILIZATION; TUNGSTEN; TUNGSTEN COMPOUNDS;

CHEMICAL ACTIVATION;

EID: 78649817467     PISSN: 02767333     EISSN: 15206041     Source Type: Journal    
DOI: 10.1021/om100879y     Document Type: Article

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