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1978 (1)
1Author    Peter HofmannRequires cookie*
 Title    Das Tricarbonyl-eisen-cycloheptatrienid-Anion [C7H7Fe(CO)3] : r/ 3 -Allylanion-oder ^ 4 -Butadienkomplex ? The Triearbonyl Iron Cyeloheptatrienide Anion: r/ 3 -Allyl Anion or ^-Butadiene Complex ?  
 Abstract    Molecular orbital calculations for [C7H7Fe(CO)3]-predict a ^ 3 -allyl anion Fe(CO)3 com-plex with un-coordinated diene part of the C7H7 ligand to be more stable than the alter-native 7j 4 -butadiene Fe(CO)3 form, the cyclopolyenyl ligand being nonplanar in either case. The tiny energy difference between both coordination modes accounts for the observed high fluxionality of the anion. 
  Reference    Z. Naturforsch. 33b, 251—260 (1978); eingegangen am 19. Dezember 1977 
  Published    1978 
  Keywords    Triearbonyl Iron Cyeloheptatrienide, Fluxionality, Ground State Structure, Molecular Orbital Calculations 
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 TEI-XML for    default:Reihe_B/33/ZNB-1978-33b-0251.pdf 
 Identifier    ZNB-1978-33b-0251 
 Volume    33