Organometallics

, том 28 , издание 4 , страницы 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

Скрыть аффилиации авторов Показать аффилиации авторов: 1 аффилиация

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

Институт нефтехимии и катализа УФИЦ РАН

Уфимский Институт химии УФИЦ РАН

Тип публикации: Journal Article

Дата публикации: 2009-01-29

American Chemical Society (ACS)

Organometallics

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wos Q1

БС1

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

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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...

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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.

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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.

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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}

}

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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.