The Fluxional Character of (η5-C5H5)Fe(CO)2(η1-C9H7):
Evidence for the [4 + 2] Cycloaddition of a
Metal-Substituted Isoindene with Tetracyanoethylene
Posted on 1997-12-09 - 00:00
The variable-temperature NMR spectra of
(η5-cyclopentadienyl)Fe(CO)2(η1-indenyl),
1, do
not exhibit noticeable line-broadening below 70 °C, at which point
decarbonylation to yield
benzoferrocene, 8, is rapid. Nevertheless, 2D-EXSY data
show clearly that 1 is indeed
fluxional; it undergoes successive [1,5] shifts with an activation
energy of ∼20 kcal mol-1.
Contrary to an earlier report, the intermediate isoindene,
2, is sufficiently long-lived to yield
a crystallographically-characterized [4 + 2] cycloadduct,
10, with tetracyanoethylene.
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Stradiotto, Mark; Hughes, Donald W.; Bain, Alex D.; Brook, Michael A.; McGlinchey, Michael J. (2016). The Fluxional Character of (η5-C5H5)Fe(CO)2(η1-C9H7):
Evidence for the [4 + 2] Cycloaddition of a
Metal-Substituted Isoindene with Tetracyanoethylene. ACS Publications. Collection. https://doi.org/10.1021/om970686c