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Russian Journal of Organic Chemistry

, Volume 43, Issue 7, pp 970–980 | Cite as

Density functional study on the bromination of heteroelement-substituted acetylenes

  • M. V. Zabalov
  • S. S. Karlov
  • D. A. Lemenovskii
  • G. S. Zaitseva
Article

Abstract

The reactions of heteroelement-containing alkynes H3SiC≡CH and R3MC≡CPh [R3M = H3Si, Et3Si, Et3Ge, (MeO)3Si, (EtO)3Ge, N(CH2CH2O)3Si, N(CH2CH2O)3Ge, Bu3Sn] with one and two bromine molecules were studied in terms of the density functional theory. Transition states along reaction channels leading to products of both addition at the triple bond (cis- and trans-dibromoalkenes and 1,1-dibromoalkenes) and cleavage of the M-C≡ bond were localized.

Keywords

Transition State Alkyne Bromine Triple Bond Germyl 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Pleiades Publishing, Ltd. 2007

Authors and Affiliations

  • M. V. Zabalov
    • 1
  • S. S. Karlov
    • 1
  • D. A. Lemenovskii
    • 1
  • G. S. Zaitseva
    • 1
  1. 1.Faculty of ChemistryMoscow State UniversityMoscowRussia

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