Regioselectivity of reactions of vinyl- and isopropenylcyclopentadienide anions with electrophilic agents. Synthesis and crystal structures of complexes [C5H4C(Me)=CH2]ZrCl3 · 2THF and [C5Me4CH=CH2]ZrCl3 · 2THF
作者： D. P. Krut’ko , M. V. Borzov , O. V. Dolomanov , A. V. Churakov , D. A. Lemenovskii
DOI: 10.1007/S11172-005-0263-Y
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摘要: Regioselectivity of the reactions lithium vinyl- and isopropenylcyclopentadienides C5H4C(R)=CH2 -Li+(R = H, Me) tetramethylvinylcyclopentadienide C5Me4CH=CH2 -Li+ with various electrophilic agents (Me3SiCl, Me3SnCl, Et2PCl, 2-chloro-1, 3-dioxaphospholane, MeI) was studied. Two new monocyclopentadienyl zirconium complexes, [C5H4C(Me) CH2]ZrCl3 · 2THF [C5Me4CH=CH2]ZrCl3 2THF, were synthesized. Their crystal structures established by X-ray diffraction. The results quantum chemical calculations for C5H4C(R) CH2 - (R C5Me4CH=CH2 - anions DFT method (RMPW1PW91) 6-311+G(d, p) split valence basis set are in good agreement experimental data on regioselectivity their agents.
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