Complicated electronic process of C-C σ-bond activation of cyclopropene by ruthenium and iridium complexes: Theoretical study

Organometallics

Volumn 31, Issue 23, 2012, Pages 8189-8199

  Ishikawa, Atsushi ^a,c   Tanimura, Yudai ^a   Nakao, Yoshihide ^b   Sato, Hirofumi ^a   Sakaki, Shigeyoshi ^b  

^a KYOTO UNIVERSITY   (Japan)

^b KYOTO UNIVERSITY   (Japan)

^c Quantum Chemistry Research Institute Kyoto   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION BARRIERS; BOND ACTIVATION; BOND BREAKING PROCESS; BOND CLEAVAGES; BOND FORMATION; BONDING INTERACTIONS; CAS-SCF; CYCLOPROPENES; D-ELECTRON NUMBER; DOUBLE BONDS; ELECTRONIC PROCESS; IRIDIUM COMPLEX; LIGAND-FIELD; METAL CENTERS; PRECURSOR COMPLEXES; PROMOTION ENERGY; REACTION ENERGY; REACTION SYSTEM; RU COMPLEXES; RUTHENIUM COMPLEXES; SINGLE BOND; THEORETICAL STUDY; TRANSITION STATE; VALENCE BONDS; VALENCE STATE;

COORDINATION REACTIONS; IRIDIUM; IRIDIUM COMPOUNDS; PROPYLENE; RUTHENIUM;

RUTHENIUM COMPOUNDS;

EID: 84870915790     PISSN: 02767333     EISSN: 15206041     Source Type: Journal    
DOI: 10.1021/om300811g     Document Type: Article

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