Steric effect of allyl substituent on the molecular structures of allyltitanium complexes
作者： Jie Chen , Yasushi Kai , Nobutami Kasai , Hajime Yasuda , Hitoshi Yamamoto
DOI: 10.1016/0022-328X(91)86117-9
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摘要: The crystal structures of a series allyltitanium complexes have been determined by X-ray crystallography. Crystals (C5H52Ti(1,3-dimethylalyl) (1) are monoclinic, space group P21/n, with = 13.353(2), b 7.674(1), c 25.543(2) A, β 90.92(1)°, and Z 8. (C5H5)2Ti(2-methylallyl) (2_ orthorhombic, Pbca, 15.299(4), 25.797(2), 12.014(1) 16. unit cells 1 2 each contain two molecules in crystallographic asymmetric unit. coordination geometry non-substituted compound was for (C5H5(C5Me5)-Ti(allyl) (3) the mixed ancillary ligands since (C5H5)2Ti(Allyl) (4) includes packing disorder. 3 Pnma, 9.633(1), 12.743(1), 12.718(1) 4. molecular structure exhibits mirror symmetry. All were refined full-matrix least-squares to R indices 0.062, 0.051, 0.065 1, 2, 3, respectively. allyl groups η3-coordinated metal Detailed comparisons these revealed remarkable steric effect methyl substituents on geometries titanium atom. Complex has longest TiC(1) TiC(3) bonds, while complex TiC(2) bond. shortest Tiallyl bonds seen 3.
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