Home / Publications / Racemo-selective formation of ansa-zirconocene in the reaction of dimethylbis(5-phenyl-5,6-dihydroindeno[2,1-b]indol-6-yl)silane dilithium salt with ZrCl4: X-ray and DFT argumentation for stereocontrol

Racemo-selective formation of ansa-zirconocene in the reaction of dimethylbis(5-phenyl-5,6-dihydroindeno[2,1-b]indol-6-yl)silane dilithium salt with ZrCl4: X-ray and DFT argumentation for stereocontrol

Ilya Eduardovich Nifant'ev 1, 2
Ilya Eduardovich Nifant'ev
, 
Alexander Andreevich Vinogradov 1
Alexander Andreevich Vinogradov
,  , 
Konstantin Alexandrovich Lyssenko 2, 3
Konstantin Alexandrovich Lyssenko
, 
Pavel Vasil'evich Ivchenko 1, 2
Pavel Vasil'evich Ivchenko
10.1016/j.mencom.2019.05.008
Published 2019-04-26
Communication , Volume 29, Issue 3, 266-268
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Nifant'ev I. E. et al. Racemo-selective formation of ansa-zirconocene in the reaction of dimethylbis(5-phenyl-5,6-dihydroindeno[2,1-b]indol-6-yl)silane dilithium salt with ZrCl4: X-ray and DFT argumentation for stereocontrol // Mendeleev Communications. 2019. Vol. 29. No. 3. pp. 266-268.
GOST all authors (up to 50) Copy
Nifant'ev I. E., Vinogradov A. A., Minyaev M. E., Lyssenko K. A., Ivchenko P. V. Racemo-selective formation of ansa-zirconocene in the reaction of dimethylbis(5-phenyl-5,6-dihydroindeno[2,1-b]indol-6-yl)silane dilithium salt with ZrCl4: X-ray and DFT argumentation for stereocontrol // Mendeleev Communications. 2019. Vol. 29. No. 3. pp. 266-268.
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TY - JOUR
DO - 10.1016/j.mencom.2019.05.008
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2019.05.008
TI - Racemo-selective formation of ansa-zirconocene in the reaction of dimethylbis(5-phenyl-5,6-dihydroindeno[2,1-b]indol-6-yl)silane dilithium salt with ZrCl4: X-ray and DFT argumentation for stereocontrol
T2 - Mendeleev Communications
AU - Nifant'ev, Ilya Eduardovich
AU - Vinogradov, Alexander Andreevich
AU - Minyaev, Mikhail Evgenievich
AU - Lyssenko, Konstantin Alexandrovich
AU - Ivchenko, Pavel Vasil'evich
PY - 2019
DA - 2019/04/26
PB - Mendeleev Communications
SP - 266-268
IS - 3
VL - 29
ER -
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@article{2019_Nifant'ev,
author = {Ilya Eduardovich Nifant'ev and Alexander Andreevich Vinogradov and Mikhail Evgenievich Minyaev and Konstantin Alexandrovich Lyssenko and Pavel Vasil'evich Ivchenko},
title = {Racemo-selective formation of ansa-zirconocene in the reaction of dimethylbis(5-phenyl-5,6-dihydroindeno[2,1-b]indol-6-yl)silane dilithium salt with ZrCl4: X-ray and DFT argumentation for stereocontrol},
journal = {Mendeleev Communications},
year = {2019},
volume = {29},
publisher = {Mendeleev Communications},
month = {Apr},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2019.05.008},
number = {3},
pages = {266--268},
doi = {10.1016/j.mencom.2019.05.008}
}
MLA
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Nifant'ev, Ilya Eduardovich, et al. “Racemo-selective formation of ansa-zirconocene in the reaction of dimethylbis(5-phenyl-5,6-dihydroindeno[2,1-b]indol-6-yl)silane dilithium salt with ZrCl4: X-ray and DFT argumentation for stereocontrol.” Mendeleev Communications, vol. 29, no. 3, Apr. 2019, pp. 266-268. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2019.05.008.

Abstract

The reaction of bis[(5a,6,6a,10a,10b-η)-5-phenyl-5,6-dihydroindeno[2,1-b]indol-6-yl]dimethylsilane dilithium salt with ZrCl4 results in the formation of zirconium ansa-complex with >95% rac-selectivity, presumably due to specific crystal structure of the dilithium salt, which was established by X-ray diffraction.

References

1.
The catalytic behavior of heterocenes activated by TIBA and MMAO under a low Al/Zr ratios in 1-octene polymerization
Nifant'ev I.E., Vinogradov A.A., Vinogradov A.A., Churakov A.V., Bagrov V.V., Kashulin I.A., Roznyatovsky V.A., Grishin Y.K., Ivchenko P.V.
Applied Catalysis A: General, 2019
3.
Insights into group 4 and 5 ansa-bis(cyclopentadienyl) complexes with a single-atom bridge
Prashar S., Antiñolo A., Otero A.
Coordination Chemistry Reviews, 2006
5.
Synthesis, structure, and properties of chiral titanium and zirconium complexes bearing biaryl strapped substituted cyclopentadienyl ligands
Ellis W.W., Hollis T.K., Odenkirk W., Whelan J., Ostrander R., Rheingold A.L., Bosnich B.
Organometallics, 1993
6.
ansa-Metallocene derivatives. 26. Biphenyl-bridged metallocenes that are chiral, configurationally stable, and free of diastereomers
Huttenloch M.E., Diebold J., Rief U., Brintzinger H.H., Gilbert A.M., Katz T.J.
Organometallics, 1992
10.
Chelate-Controlled Synthesis of Racemicansa-Zirconocenes
LoCoco M.D., Zhang X., Jordan R.F.
Journal of the American Chemical Society, 2004
11.
General Synthesis of Racemic Me2Si-Bridged Bis(indenyl) Zirconocene Complexes
Zhang X., Zhu Q., Guzei I.A., Jordan R.F.
Journal of the American Chemical Society, 2000
13.
Enantioselective Synthesis of ansa-Zirconocenes
LoCoco M.D., Jordan R.F.
Journal of the American Chemical Society, 2004
14.
Racemo-Selective Synthesis of ansa-Zirconocene Derivates from Zirconium Biphenolate Complexes
Damrau H.H., Royo E., Obert S., Schaper F., Weeber A., Brintzinger H.
Organometallics, 2001
21.
Ivchenko P.V., Nifant’ev I.E., Smetannikov O.V., Ivanyuk A.A., Churakov A.V.
Mendeleev Communications, 2015
24.
Performance of Density Functionals for Activation Energies of Zr-Mediated Reactions
Sun Y., Chen H.
Journal of Chemical Theory and Computation, 2013
26.
10.1016/j.mencom.2019.05.008_bib0130
Frisch
Gaussian 09, Revision A.01, 2016
27.
A short history of SHELX
Sheldrick G.M.
Acta Crystallographica Section A Foundations of Crystallography, 2007
28.
Crystal structure refinement withSHELXL
Sheldrick G.M.
Acta crystallographica. Section C, Structural chemistry, 2015