Electronic structure of a benzylidyne-capped tricobalt cluster, [Co 3Cp3(μ3-CPh)2]. X-ray structures and 1H NMR paramagnetic shifts of its cation and DFT calculations of its model complex

Inorganica Chimica Acta

Volumn 357, Issue 2, 2004, Pages 533-540

  Ebihara, Masahiro ^a   Iiba, Masami ^a   Kato, Masayuki ^a   Minami, Hidehito ^a   Kawamura, Takashi ^a  

^a GIFU UNIVERSITY   (Japan)

Author keywords

1H NMR paramagnetic shifts; Cobalt complexes; DFT calculations; Electronic structures; Metal metal bonds; X ray structures

Indexed keywords

ATOMS; BINARY ALLOYS; CARBON; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; ELECTROCHEMICAL OXIDATION; ELECTRONIC STRUCTURE; MOLECULAR ORBITALS; PARAMAGNETISM; POSITIVE IONS; X RAYS;

COBALT COMPLEXES; DFT CALCULATION; METAL-METAL BONDS; PARAMAGNETIC SHIFTS; X-RAY STRUCTURE;

COBALT COMPOUNDS;

ALKYNE DERIVATIVE; CARBON; COBALT COMPLEX; PERCHLORATE;

AB INITIO CALCULATION; ARTICLE; ATOMIC PARTICLE; CHEMICAL ANALYSIS; CHEMICAL BOND; CHEMICAL STRUCTURE; COMPLEX FORMATION; CONJUGATION; CRYSTAL STRUCTURE; ELECTROCHEMICAL ANALYSIS; EXPERIMENTAL MODEL; OXIDATION; PROTON NUCLEAR MAGNETIC RESONANCE; STRUCTURE ANALYSIS; X RAY ANALYSIS;

EID: 1542294923     PISSN: 00201693     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ica.2003.08.010     Document Type: Article

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