Preparation and Structure of [2,4-(CH3)2C5H5]2TiCO

Abstract

Abstract: [2,4-(CH₃)₂C₅H₃]₂TiCOwas obtained by the reaction of [2,4-(CH₃)₂C₅H₃]₂Ti with COat room temperature.The single crystal X-ray diffraction data of [2,4-(CH₃)₂C₅H₅]₂TiCOwere collected and the crystal structure was solved by the heavy atom method.It belongs to orthorhombic system, space group P2₁2₁2₁ with lattice parameters α=1.0078(5) nm, 6=1.1907(8) nm, c=l.1946 (5) nm, V=1.4337(13) nm³, Z=4.Several cycles of block matrix least-squares refinement gave the final R - 0.054.EHMOmethod has been used to calculate the electronic structure of [2, 4-(CH₃)₂C₅H₅]₂TiCO.

Key words: Open metallocene, Pentadienyl, Organic titanium

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WANG Yue, LIU Ju-Zheng, FAN Yu-Guo, LIANG Ying-Qiu. Preparation and Structure of [2,4-(CH₃)₂C₅H₅]₂TiCO[J]. Chem. J. Chinese Universities, 1993, 14(1): 84.

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Preparation and Structure of [2,4-(CH₃)₂C₅H₅]₂TiCO

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