Organometallics

, volume 28 , issue 4 , pages 968-977

DFT Study on Mechanism of Olefin Hydroalumination by XAlBui2 in the Presence of Cp2ZrCl2 Catalyst. I. Simulation of Intermediate Formation in Reaction of HAlBui2 with Cp2ZrCl2

Evgeniy Yu Pankratyev ¹

Tatyana V Tyumkina ¹

Lyudmila V. Parfenova ¹

Leonard M. Khalilov ¹

Sergey L. Khursan ¹

Usein M Dzhemilev ¹

Hide authors affiliations Show authors affiliations: 1 affiliation

Institute of Petrochemistry and Catalysis of Russian Academy of Sciences, Russia, 450075, Ufa, Prospekt Oktyabrya, 141, and Institute of Organic Chemistry of Ufa Scientific Center of Russian Academy of Sciences, Russia, 450054, Ufa, Prospekt Oktyabrya, 71

Institute of Petrochemistry and Catalysis of the Ufa Federal Research Center of the Russian Academy of Sciences

Ufa Institute of Chemistry of the Ufa Federal Research Center of the Russian Academy of Sciences

Publication type: Journal Article

Publication date: 2009-01-29

American Chemical Society (ACS)

Organometallics

scimago Q2

wos Q1

SJR: 0.676

CiteScore: 5.1

Impact factor: 2.9

ISSN: 02767333, 15206041

DOI: 10.1021/om800393j

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Organic Chemistry

Inorganic Chemistry

Physical and Theoretical Chemistry

Abstract

The mechanism of intermediate formation in the reaction of HAlBui2 with Cp2ZrCl2 has been studied by DFT calculations. Stationary points have been localized on the potential energy surface of the r...

Found

8 citations

Parfenova Lyudmila

🥼 🤝

DSc in Chemistry, associate professor

109 publications, 1 037 citations, 8 reviews

h-index: 17

Institute of Petrochemistry and Catalysis of the Ufa Federal Research Center of the Russian Academy of Sciences

Research interests

Asymmetric metal complex catalysis

Regenerative materials

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Pankratyev E. Yu. et al. DFT Study on Mechanism of Olefin Hydroalumination by XAlBui2 in the Presence of Cp2ZrCl2 Catalyst. I. Simulation of Intermediate Formation in Reaction of HAlBui2 with Cp2ZrCl2 // Organometallics. 2009. Vol. 28. No. 4. pp. 968-977.

GOST all authors (up to 50) Copy

Pankratyev E. Yu., Tyumkina T. V., Parfenova L. V., Khalilov L. M., Khursan S. L., Dzhemilev U. M. DFT Study on Mechanism of Olefin Hydroalumination by XAlBui2 in the Presence of Cp2ZrCl2 Catalyst. I. Simulation of Intermediate Formation in Reaction of HAlBui2 with Cp2ZrCl2 // Organometallics. 2009. Vol. 28. No. 4. pp. 968-977.

RIS |

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RIS Copy

TY - JOUR

DO - 10.1021/om800393j

UR - https://doi.org/10.1021/om800393j

TI - DFT Study on Mechanism of Olefin Hydroalumination by XAlBui2 in the Presence of Cp2ZrCl2 Catalyst. I. Simulation of Intermediate Formation in Reaction of HAlBui2 with Cp2ZrCl2

T2 - Organometallics

AU - Pankratyev, Evgeniy Yu

AU - Tyumkina, Tatyana V

AU - Parfenova, Lyudmila V.

AU - Khalilov, Leonard M.

AU - Khursan, Sergey L.

AU - Dzhemilev, Usein M

PY - 2009

DA - 2009/01/29

PB - American Chemical Society (ACS)

SP - 968-977

IS - 4

VL - 28

SN - 0276-7333

SN - 1520-6041

ER -

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@article{2009_Pankratyev,

author = {Evgeniy Yu Pankratyev and Tatyana V Tyumkina and Lyudmila V. Parfenova and Leonard M. Khalilov and Sergey L. Khursan and Usein M Dzhemilev},

title = {DFT Study on Mechanism of Olefin Hydroalumination by XAlBui2 in the Presence of Cp2ZrCl2 Catalyst. I. Simulation of Intermediate Formation in Reaction of HAlBui2 with Cp2ZrCl2},

journal = {Organometallics},

year = {2009},

volume = {28},

publisher = {American Chemical Society (ACS)},

month = {jan},

url = {https://doi.org/10.1021/om800393j},

number = {4},

pages = {968--977},

doi = {10.1021/om800393j}

}

MLA

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MLA Copy

Pankratyev, Evgeniy Yu., et al. “DFT Study on Mechanism of Olefin Hydroalumination by XAlBui2 in the Presence of Cp2ZrCl2 Catalyst. I. Simulation of Intermediate Formation in Reaction of HAlBui2 with Cp2ZrCl2.” Organometallics, vol. 28, no. 4, Jan. 2009, pp. 968-977. https://doi.org/10.1021/om800393j.