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- W1987281326 abstract "In order to assist in the interpretation of the D5h molecular structure of [45] (1,2,3,4,5)ferrocenophane (1) obtained from x-ray crystallographic analysis, a hypothetical hydrocarbon C30H40 (2) was derived from 1 by removing the iron atom and subjected to geometry optimization by molecular mechanics. A stable D5 conformer was found for 2, which has a g+g−g+ helical bridge conformation and a ring–ring distance almost identical with that in 1 and ferrocene itself. Optimization of a perhydrogenated hydrocarbon model gave a highly strained C1 structure." @default.
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- W1987281326 date "1989-10-01" @default.
- W1987281326 modified "2023-10-18" @default.
- W1987281326 title "Energy-minimum structure of the hydrocarbon portion of [45] (1,2,3,4,5)ferrocenophane" @default.
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- W1987281326 doi "https://doi.org/10.1002/poc.610020803" @default.
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