Substituted cyclopentadienyl compounds: II. Molecular orbital study of ring slippage in some rhodium(I) derivatives and the X-ray structure of η5-phenylcyclopentadienylbis(η2-ethene)rhodium(I)
作者： Michael Arthurs , Colin Piper , D.Antony Morton-Blake , Michael G.B. Drew
DOI: 10.1016/0022-328X(92)83256-H
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摘要: Abstract The X-ray structure of (η5-C5H4-C5H4)Rh(η2-C2H4)2 has been determined. substituent on the cyclopentadienyl ring crosses a double bond completed ethene, i.e. relative to rhodium atom it is transoid second olefinic bond. geometry related systems such that functions parallel between and substituent. CNDO/U molecular orbital calculations have performed series these systems. former orientation often associated with small contribution from an η4-diolefin-η1-alkyl rotamer while latter η3-allyl-η2-ene rotamer. reasons for preference one structures in substituted cyclopentadienyl-rhodium(I)bis(olefin) compounds are discussed.
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