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Torsional Isomerism in Metallocenes: Hindered Cp‐Rotation in ( s‐cis ‐η‐Butadiene)‐bis(η‐ tert ‐butylcyclopentadienyl)zirconium
Author(s) -
Erker Gerhard,
Mühlenbernd Thomas,
Benn Reinhard,
Rufińska Anna,
Tsay YiHung,
Krüger Carl
Publication year - 1985
Publication title -
angewandte chemie international edition in english
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 0570-0833
DOI - 10.1002/anie.198503211
Subject(s) - cyclopentadienyl complex , zirconium , 1,3 butadiene , chemistry , rotation (mathematics) , metallocene , crystallography , medicinal chemistry , nuclear magnetic resonance spectroscopy , stereochemistry , organic chemistry , geometry , catalysis , polymer , mathematics , polymerization
Three isomers of the title compound, a butadiene‐zirconocene with tert ‐butyl substituents, could be identified at 310 K by NMR spectroscopy. In contrast to metallocenes with unsubstituted cyclopentadienyl groups, the rotation of the t BuC 5 H 4 groups is a high‐energy process.

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