Study of the activation of CH–bond in alkanes on the immobilized metal complex catalysts by the kinetic and quantum–chemical methods

  • I. Shlygina Scientific Research Institute of new chemical technologies and materials of Kazakh NU by name of al–Farabi, 050012, Almaty, Karasay–Butyr St., 95a
  • L. Shokorova Scientific Research Institute of new chemical technologies and materials of Kazakh NU by name of al–Farabi, 050012, Almaty, Karasay–Butyr St., 95a
  • Zh. Tashmukhambetova Scientific Research Institute of new chemical technologies and materials of Kazakh NU by name of al–Farabi, 050012, Almaty, Karasay–Butyr St., 95a
  • K. Zhubanov Scientific Research Institute of new chemical technologies and materials of Kazakh NU by name of al–Farabi, 050012, Almaty, Karasay–Butyr St., 95a

Abstract

The activation of CH–bond over the Fe(III)–complexes, immobilized to the polyvinylpyrollidon matrix, is studied by kinetic and semi–empirical quantum–chemical methods for the process of oxidation of n–decane by molecular oxygen. In PM3 approximation model it is established that the activation of CH–bond run to the larger degree, when two rings of polyvinylpyrollidon enter in coordination sphere of Fe(3+). This corresponds to the obtained kinetic results.

References

1. Шокорова Л.А., Ташмухамбетова Ж.Х., Бескемпирова Ж.Б. cб. Научно–технологическое развитие нефтегазового комплекса Алматы 2010. С.390–397.
Published
2011-03-30
How to Cite
Shlygina, I., Shokorova, L., Tashmukhambetova, Z., & Zhubanov, K. (2011). Study of the activation of CH–bond in alkanes on the immobilized metal complex catalysts by the kinetic and quantum–chemical methods. Chemical Bulletin of Kazakh National University, 61(1), 102-107. Retrieved from https://bulletin.chemistry.kz/index.php/kaznu/article/view/860
Issue
Vol 61 No 1 (2011): Chemical Bulletin of Kazakh National University
Section
Other Papers

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