Delocalized bonding in tetrahedral organo-transition metal clusters: An EHMO study of metal vertex rotations in Co2Fe(CO)9S, CpMoCo2(CO)8CR, and in Cp2Mo2(CO)4(RC≡CR)

Canadian Journal of Chemistry

Volumn 74, Issue 6, 1996, Pages 1021-1031

  Malisza, Krisztina L ^a   Li, Lijuan ^a   McGlinchey, Michael J ^a  

^a MCMASTER UNIVERSITY   (Canada)

Author keywords

EHMO calculations; Metal clusters; Vertex rotations

Indexed keywords

CALCULATIONS; CHEMICAL BONDS; COBALT COMPOUNDS; CRYSTAL STRUCTURE; IRON COMPOUNDS; MOLECULAR ORIENTATION; MOLYBDENUM COMPOUNDS; NUCLEAR MAGNETIC RESONANCE; ORGANOMETALLICS; X RAY CRYSTALLOGRAPHY;

BURGI-DUNITZ ANALYSIS; CYCLOPENTADIENYL RING; EXTENDED HUCKEL MOLECULAR ORBITAL; METAL CLUSTERS; METAL METAL BONDING; VERTEX ROTATION;

MOLECULAR DYNAMICS;

EID: 0030168093     PISSN: 00084042     EISSN: None     Source Type: Journal    
DOI: 10.1139/v96-115     Document Type: Article

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