| 1 | Author | Peter Hofmann | Requires 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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