VESTNIK
Bashkirskogo universiteta

RUSSIAN
ISSN 1998-4812

Archive | Volume 19, 2014, No. 3.

NEW APPROACH FOR ESTIMATION OF SELECTIVITY OF CHEMICAL REACTIONS AND ITS APPLICATION TO RADICAL REACTIONS OF FULLERENES

Vestnik Bashkirskogo Universiteta. 2014. Vol. 19. No. 3. Pp. 804-807.
Sabirov D. Sh.
Institute of Petrochemistry and Catalysis of RAS
141 Oktyabrya Ave., 450075 Ufa, Republic of Bashkortostan, Russia.
Email: diozno@mail.ru
Garipova R. R.
Institute of Petrochemistry and Catalysis of RAS
141 Oktyabrya Ave., 450075 Ufa, Republic of Bashkortostan, Russia.
Shepelevich I. S.
Bashkir State University; Bashkir State Medical University
32 Zaki Validi St., 450076 Ufa, Republic of Bashkortostan, Russia; 3 Lenina st., 450008 Ufa, Republic of Bashkortostan, Russia.
Bulgakov R. G.
Institute of Petrochemistry and Catalysis of RAS
141 Oktyabrya Ave., 450075 Ufa, Republic of Bashkortostan, Russia.

Abstract

A new approach to the estimation of the general selectivity of chemical reactions has been postulated in the work. It is based on the calculation of selectivity index ϱ using heat effects of the alternative reaction paths. Informative potential of the approach has been demonstrated on radical reactions of C60 and C70 fullerenes.

Keywords

  • • selectivity
  • • chemical reaction
  • • heat effect
  • • reaction site
  • • radical reaction
  • • fullerenes

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