Abstract
Abstract The X-ray structure of (η5-C5H4-C5H4)Rh(η2-C2H4)2 has been determined. The substituent on the cyclopentadienyl ring crosses a double bond of the completed ethene, i.e. relative to the rhodium atom it is transoid to the second olefinic double bond. The geometry of related systems is such that olefinic functions parallel the bond between the cyclopentadienyl ring and substituent. CNDO/U molecular orbital calculations have been performed on a series of these systems. The former orientation is often associated with a small contribution from an η4-diolefin-η1-alkyl rotamer while the latter is associated with an η3-allyl-η2-ene rotamer. The reasons for the preference for one of these structures in substituted cyclopentadienyl-rhodium(I)bis(olefin) compounds are discussed.
Published Version
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