Conformational features of a furyl‐substituted bis(tetrahydroindenyl)zirconium dichloride system | Zendy

Dreier Thorsten | Zendy; Hannig Frithjof | Zendy; Erker Gerhard | Zendy; Bergander Klaus | Zendy; Fröhlich Roland | Zendy

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Conformational features of a furyl‐substituted bis(tetrahydroindenyl)zirconium dichloride system

Author(s) -

Dreier Thorsten,

Hannig Frithjof,

Erker Gerhard,

Bergander Klaus,

Fröhlich Roland

Publication year - 2002

Publication title -

journal of physical organic chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.325

H-Index - 66

eISSN - 1099-1395

pISSN - 0894-3230

DOI - 10.1002/poc.524

Subject(s) - chemistry , zirconium , metallocene , moiety , crystal structure , crystallography , polymer chemistry , nuclear magnetic resonance spectroscopy , molybdenum , stereochemistry , organic chemistry , polymerization , polymer

Treatment of 2‐(5‐methyl‐2‐furyl)tetrahydroindenyllithium with ZrCl 4 gave bis[2‐(5‐methyl‐2‐furyl)tetrahydroindenyl]zirconium dichloride ( 8 ). Dynamic 1 H NMR spectroscopy revealed a Cp‐furyl rotational barrier of Δ G ≠ Arrot (148 K) = 6.8 ± 0.4 kcal mol −1 . The x‐ray crystal structure analysis of 8 showed the presence of a rac ‐like metallocene conformation in which the furyl rings are oriented coplanar with the Cp moiety of the tetrahydroindenyl ligand systems, but the two furyl rings are oriented differently: one has the oxygen atom oriented toward the open front side, whereas the other has the furyl oxygen pointing toward the narrow back side of the bent metallocene wedge. The 8 –MAO Ziegler–Natta catalyst system produces an atactic polypropylene oil. Copyright© 2002 John Wiley & Sons, Ltd.

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