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Title: Synthesis and characterization of a tert- butyl ester-substituted titanocene dichloride: t-BuOOC Cp 2 TiCl 2
Bis[η 5 -( tert -butoxycarbonyl)cyclopentadienyl]dichloridotitanium(IV), [Ti(C 10 H 13 O 2 ) 2 Cl 2 ], was synthesized from LiCp COO t -Bu using TiCl 4 , and was characterized by single-crystal X-ray diffraction and 1 H NMR spectroscopy. The distorted tetrahedral geometry about the central titanium atom is relatively unchanged compared to Cp 2 TiCl 2 . The complex exhibits elongation of the titanium–cyclopentadienyl centroid distances [2.074 (3) and 2.070 (3) Å] and a contraction of the titanium–chlorine bond lengths [2.3222 (10) Å and 2.3423 (10) Å] relative to Cp 2 TiCl 2 . The dihedral angle formed by the planes of the Cp rings [52.56 (13)°] is smaller than seen in Cp 2 TiCl 2 . Both ester groups extend from the same side of the Cp rings, and occur on the same side of the complex as the chlorido ligands. The complex may serve as a convenient synthon for titanocene complexes with carboxylate anchoring groups for binding to metal oxide substrates.  more » « less
Award ID(s):
1655740
NSF-PAR ID:
10228942
Author(s) / Creator(s):
; ; ;
Date Published:
Journal Name:
Acta Crystallographica Section E Crystallographic Communications
Volume:
76
Issue:
10
ISSN:
2056-9890
Page Range / eLocation ID:
1562 to 1565
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
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