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  • 1
    ISSN: 1434-4475
    Keywords: Titanium ; Cyclopentadienyl ; Akloxytitanium complexes ; X-ray analysis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Zusammenfassung Durch Umsetzung von [Ti(η5-C5H5)Cl3] mit dem geeigneten Alkohol wurde eine Reihe von neuen Verbindungen der Formel [Ti(η5-C5H5)(OR)] (R=C6H11 (cyclohexyl,1), CH2CH(CH3)2 (2), CH(C2H5)2 (3) und CH2C6H5 (4)) erhalten. Alle Komplexe wurden elementaranalytisch sowie IR- und1H-NMR-spektroskopisch charakterisiert. Die Struktur von1 wurde röntgenographisch bestimmt; Kristalldaten: triklin,a=11.334(2),b=13.590(2),c=12.237(2) Å, α=113.501(5), β=118.182(5), γ=101.993(6),V=1328.2(4) Å3,T=298K, Raumgruppe P1,Z=4, zwei kristallographisch unabhängige Moleküle in der Elementarzelle; abschließendeR-Werte:R=0.0583 undR w=0.0632. Verbindung1 zeigt überraschend kurze Ti-Cl- und Ti-O-Abstände; dies deutet auf eine starke π-Elektronendonorwirkung des Chlorid- und vor allem des Alkoxidliganden hin. Der Ti-O-C-Bindungswinkel ist ungewöhnlich groß.
    Notes: Summary A series of new compounds with molecular formula [Ti(η5-C5H5)Cl2(OR)] (R=C6H11 (cyclohexyl,1), CH2CH(CH3)2 (2), CH(C2H5)2 (3), and CH2C6H5 (4)) has been obtained by the reaction of [Ti(η5-C5H5)Cl3] with the appropriate alcohol. All complexes were characterized by elemental analysis and by IR and1H NMR spectroscopy. The structure of1 was determined by X-ray diffraction studies; crystal data: triclinic,a=11.334(2),b=13.590(2),c=12.237(2) Å, α=113.501(5), β=118.182(5), γ=101.993(6),V=1328.2(4) Å3,T=298K, space P1,Z=4, two crystallographically independent molecules in the unit cell. FinalR andR w values are 0.0583 and 0.0632, respectively. Compound1 exhibits surprisingly short Ti-Cl and Ti-O distances, suggesting strong π donation by the chloride and in particular by the alkoxide ligand. The Ti-O-C angle is unusually large.
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